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Quinolines and derivatives

Aromatic organic heterocyclic compounds that contain a benzene ring fused with a six-membered ring that contains one nitrogen atom and five carbon atoms. Includes compounds that are derived from quinolines.
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1

8-Hydroxyquinoline, ACS reagent, Thermo Scientific Chemicals

CAS: 148-24-3 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006807 InChI Key: MCJGNVYPOGVAJF-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin PubChem CID: 1923 ChEBI: CHEBI:48981 IUPAC Name: quinolin-8-ol SMILES: OC1=C2N=CC=CC2=CC=C1

PubChem CID 1923
CAS 148-24-3
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:48981
MDL Number MFCD00006807
SMILES OC1=C2N=CC=CC2=CC=C1
Synonym 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin
IUPAC Name quinolin-8-ol
InChI Key MCJGNVYPOGVAJF-UHFFFAOYSA-N
Molecular Formula C9H7NO
2

Ethidium bromide, >98%, Molecular Biology Reagent, MP Biomedicals™

CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12

PubChem CID 14710
CAS 1239-45-8
Molecular Weight (g/mol) 394.32
ChEBI CHEBI:4883
MDL Number MFCD00011724
SMILES [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
Synonym ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l
IUPAC Name 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide
InChI Key ZMMJGEGLRURXTF-UHFFFAOYSA-N
Molecular Formula C21H20BrN3
3

9-Phenylacridine, Thermo Scientific™

Boiling Point 411°C
Molecular Weight (g/mol) 255.32
Color Yellow
Physical Form Crystalline Powder
Chemical Name or Material 9-Phenylacridine
CAS 602-56-2
Infrared Spectrum Conforms
MDL Number 00092562
Packaging Glass bottle
Health Hazard 1 Exclamation mark
Alpha Vector PHENYLACRIDINE
Recommended Storage Normal conditions
Shelf Life 5 years
Molecular Formula C19 H13 N
EINECS Number 210-020-3
Melting Point 183°C to 187°C
4
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Thermo Scientific Chemicals Indacaterol maleate

CAS: 753498-25-8 Molecular Formula: C28H32N2O7 Molecular Weight (g/mol): 508.57 MDL Number: MFCD20526769,MFCD18782702 InChI Key: IREJFXIHXRZFER-UHFFFAOYNA-N IUPAC Name: 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid SMILES: OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1

CAS 753498-25-8
Molecular Weight (g/mol) 508.57
MDL Number MFCD20526769,MFCD18782702
SMILES OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1
IUPAC Name 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid
InChI Key IREJFXIHXRZFER-UHFFFAOYNA-N
Molecular Formula C28H32N2O7
5

Thermo Scientific Chemicals Sildenafil

CAS: 139755-83-2 Molecular Formula: C22H30N6O4S Molecular Weight (g/mol): 474.58 InChI Key: BNRNXUUZRGQAQC-UHFFFAOYSA-N IUPAC Name: 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1

CAS 139755-83-2
Molecular Weight (g/mol) 474.58
SMILES CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
IUPAC Name 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one
InChI Key BNRNXUUZRGQAQC-UHFFFAOYSA-N
Molecular Formula C22H30N6O4S
6

Thermo Scientific Chemicals Carteolol hydrochloride

CAS: 51781-21-6 Molecular Formula: C16H25ClN2O3 Molecular Weight (g/mol): 328.84 MDL Number: MFCD00941499 InChI Key: FYBXRCFPOTXTJF-UHFFFAOYNA-N IUPAC Name: hydrogen 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one chloride SMILES: [H+].[Cl-].CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2

CAS 51781-21-6
Molecular Weight (g/mol) 328.84
MDL Number MFCD00941499
SMILES [H+].[Cl-].CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2
IUPAC Name hydrogen 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one chloride
InChI Key FYBXRCFPOTXTJF-UHFFFAOYNA-N
Molecular Formula C16H25ClN2O3
7

Acriflavine hydrochloride

CAS: 69235-50-3 Molecular Formula: C27H27Cl3N6 Molecular Weight (g/mol): 541.91 MDL Number: MFCD00069039 InChI Key: MKLTXAHQKDVBLY-UHFFFAOYSA-N Synonym: unii-1s73vw819c,acrifiavine hydrochloride,3,6-diamino-10-methylacridine proflavine trihydrochloride chloride,acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride PubChem CID: 53393742 IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride SMILES: Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

PubChem CID 53393742
CAS 69235-50-3
Molecular Weight (g/mol) 541.91
MDL Number MFCD00069039
SMILES Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12
Synonym unii-1s73vw819c,acrifiavine hydrochloride,3,6-diamino-10-methylacridine proflavine trihydrochloride chloride,acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride
IUPAC Name acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride
InChI Key MKLTXAHQKDVBLY-UHFFFAOYSA-N
Molecular Formula C27H27Cl3N6
8

Thermo Scientific Chemicals Quinine sulfate dihydrate, 99+%

CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-OIGVVMIYNA-N PubChem CID: 134129495 IUPAC Name: (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate SMILES: O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

EDGE
PubChem CID 134129495
CAS 6119-70-6
Molecular Weight (g/mol) 782.95
MDL Number MFCD00150790
SMILES O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
IUPAC Name (R)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;tetrahydrate
InChI Key ZHNFLHYOFXQIOW-OIGVVMIYNA-N
Molecular Formula C40H54N4O10S
9

Thermo Scientific Chemicals Cinchonine, 98+%

CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C

EDGE
PubChem CID 21862290
CAS 118-10-5
Molecular Weight (g/mol) 294.40
MDL Number MFCD00064372
SMILES [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
Synonym +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol
IUPAC Name [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
InChI Key KMPWYEUPVWOPIM-FRYPIZGFNA-N
Molecular Formula C19H22N2O
10

Quinine, 98+%, anhydrous

CAS: 130-95-0 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Synonym: 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol PubChem CID: 129316724 IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

EDGE
PubChem CID 129316724
CAS 130-95-0
Molecular Weight (g/mol) 324.42
MDL Number MFCD00198096
SMILES [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol
IUPAC Name (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol
InChI Key LOUPRKONTZGTKE-ZCXAXGJJNA-N
Molecular Formula C20H24N2O2
11

Thermo Scientific Chemicals Ciprofloxacin, 98%

CAS: 85721-33-1 Molecular Formula: C17H18FN3O3 Molecular Weight (g/mol): 331.34 InChI Key: MYSWGUAQZAJSOK-UHFFFAOYSA-N Synonym: ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor PubChem CID: 2764 ChEBI: CHEBI:100241 IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

PubChem CID 2764
CAS 85721-33-1
Molecular Weight (g/mol) 331.34
ChEBI CHEBI:100241
SMILES C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Synonym ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor
IUPAC Name 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI Key MYSWGUAQZAJSOK-UHFFFAOYSA-N
Molecular Formula C17H18FN3O3
12

8-Hydroxyquinoline-5-sulfonic acid monohydrate, 98%

CAS: 283158-18-9 InChI Key: WUXYGIQVWKDVTJ-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 PubChem CID: 2723649 IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid;hydrate SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O

PubChem CID 2723649
CAS 283158-18-9
SMILES C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
Synonym 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150
IUPAC Name 8-hydroxyquinoline-5-sulfonic acid;hydrate
InChI Key WUXYGIQVWKDVTJ-UHFFFAOYSA-N
13

Thermo Scientific Chemicals Cinchonidine, 98.5-101%

CAS: 485-71-2 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00006783 InChI Key: KMPWYEUPVWOPIM-UHFFFAOYNA-N Synonym: cinchonidine PubChem CID: 45358337 IUPAC Name: [(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1

PubChem CID 45358337
CAS 485-71-2
Molecular Weight (g/mol) 294.40
MDL Number MFCD00006783
SMILES OC(C1CC2CCN1CC2C=C)C1=C2C=CC=CC2=NC=C1
Synonym cinchonidine
IUPAC Name [(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
InChI Key KMPWYEUPVWOPIM-UHFFFAOYNA-N
Molecular Formula C19H22N2O
14

8-Aminoquinoline, 98+%

CAS: 578-66-5 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00006809 InChI Key: WREVVZMUNPAPOV-UHFFFAOYSA-N Synonym: 8-aminoquinoline,8-quinolinamine,8-quinolylamine,quinoline, 8-amino,quinolin-8-ylamine,unii-u34eav21tg,8-amino quinoline,ccris 1683,u34eav21tg,8-amino-quinoline PubChem CID: 11359 IUPAC Name: quinolin-8-amine SMILES: C1=CC2=C(C(=C1)N)N=CC=C2

PubChem CID 11359
CAS 578-66-5
Molecular Weight (g/mol) 144.18
MDL Number MFCD00006809
SMILES C1=CC2=C(C(=C1)N)N=CC=C2
Synonym 8-aminoquinoline,8-quinolinamine,8-quinolylamine,quinoline, 8-amino,quinolin-8-ylamine,unii-u34eav21tg,8-amino quinoline,ccris 1683,u34eav21tg,8-amino-quinoline
IUPAC Name quinolin-8-amine
InChI Key WREVVZMUNPAPOV-UHFFFAOYSA-N
Molecular Formula C9H8N2