Quinolines and derivatives
Pelitinib, TRC
CAS: 257933-82-7 Molecular Formula: C24 H23 Cl F N5 O2 Molecular Weight (g/mol): 467.92 IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Ethoxyquin, TRC
CAS: 91-53-2 Molecular Formula: C14 H19 N O Molecular Weight (g/mol): 217.31 Synonym: 6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline,1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline,1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline,2,2,4-Trimethyl-1,2-dihydro-6-ethoxyquinoline,2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline,6-Ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline,AW,Amea 100,Antage AW,Antioxidant AW,Antioxidant EC,Antox,Aries Antox,BIOX-S,Biox SE,Dawe's nutrigard,EMQ,EQ,Ethoxyquin,Ethoxyquine,NSC 6795,Niflex,Niflex D,Nocrac AW,Nocrac AW-G,Nonflex AW,Nonflex AW-P,Permanax 103,Quinol ED,Raluquin,Santoflex A,Santoflex AW,Santoquin,Santoquine,Stop-Scald,Tenox II IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline SMILES: CCOc1ccc2NC(C)(C)C=C(C)c2c1
Ciprofloxacin, TRC
CAS: 85721-33-1 Molecular Formula: C17 H18 F N3 O3 Molecular Weight (g/mol): 331.34 Synonym: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-,1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid,1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(1-piperazinyl)-4-oxo-3-quinoline carboxylic acid,1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid,AuriPro,BAY-q 3939,Catex,Ciflafin,Cinthocip 500,Ciprine,Cipro IV,Ciprobay 100,Ciprodac,Ciprofloxacillin,Ciprofloxacin,Ciprofloxacine,Ciprolet,Ciprolet DS,Cipromed,Cipronex,Cipropol,Ciproval,Ciprovet,Ciprox,Ciproxim,Ciproxina,Cunesin,Cyclofloxacin,Euciprin,Infu-luxacin,Lipoquin,Novidate,OTO 201,Oftacifox,Otiprio,Procip,Profloxacin,Pulmaquin,Quinox XR,Urociproxin IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O
Neqoinate, TRC
CAS: 13997-19-8 Molecular Formula: C22 H23 N O4 Molecular Weight (g/mol): 365.42 Synonym: 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester (8CI),7-Benzyloxy-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methyl ester,AY 20385,ICI 55052,Mequinate,Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinoline carboxylate,Methyl 7-(benzyloxy)-6-n-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate,Methyl benzoquate,Neqoinate,Nequinate,Statil,Statoquate,Statyl,Tranil IUPAC Name: methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate SMILES: CCCCc1cc2C(=O)C(=CNc2cc1OCc3ccccc3)C(=O)OC
Dictamnine, TRC
CAS: 484-29-7 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.21 Synonym: Dictamnine,4-Methoxyfuro[2,3-b]quinoline,Dectamine,Dictamine SMILES: COC1=C2C(OC=C2)=NC3=CC=CC=C13
Hydroxychloroquine, TRC
CAS: 118-42-3 Molecular Formula: C18 H26 Cl N3 O Molecular Weight (g/mol): 335.87 Synonym: Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-,Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]- (6CI,8CI),2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]ethylamino]ethanol,(±)-Hydroxychloroquine,7-Chloro-4-[4-(N-ethyl-N-β-hydroxyethylamino)-1-methylbutylamino]quinoline,7-Chloro-4-[4-[ethyl(2-hydroxyethyl)amino]-1-methylbutylamino]quinoline,7-Chloro-4-[5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl]aminoquinoline,Hydroxychloroquine,Oxichloroquine,Oxychlorochin,Oxychloroquine,Racemic Hydroxychloroquine,WIN 1258,Win 1258-2 IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol SMILES: CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Quinclorac, TRC
CAS: 84087-01-4 Molecular Formula: C10 H5 Cl2 N O2 Molecular Weight (g/mol): 242.06 Synonym: 3,7-Dichloro-8-quinolinecarboxylic acid,Accord 75DF,BAS 514,BAS 514H,Drive,Facet,Facet LA,Paramount,Parmount 75WG,Quinclorac,8-Quinolinecarboxylic acid, 3,7-dichloro- IUPAC Name: 3,7-dichloroquinoline-8-carboxylic acid SMILES: OC(=O)c1c(Cl)ccc2cc(Cl)cnc12
Metergoline, TRC
CAS: 17692-51-2 Molecular Formula: C25 H29 N3 O2 Molecular Weight (g/mol): 403.5167 Synonym: N-[[(8β)-1,6-Dimethylergolin-8-yl]methyl]-carbamic Acid Phenylmethyl Ester,Carbamic acid, [(1,6-dimethylergolin-8β-yl)methyl]-, benzyl ester (8CI),Carbamic acid, [[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester (9CI),Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester (7CI),Ergoline, carbamic acid deriv.,Indolo[4,3-fg]quinoline, carbamic acid deriv.,(+)-N-Carboxy-1-methyl-9,10-dihydrolysergamide benzyl ester,8β-Carbobenzyloxyaminomethyl-1,6-dimethyl-10α-ergoline,AHR 3009,Contralac,D-8β-[(Carbobenzoxyamino)methyl]-1,6-dimethyl-10α-ergoline,D-8β-[(Carboxyamino)methyl]-1,6-dimethylergoline I benzyl ester,D-N-Carbobenzoxydihydro-1-methyllysergamine I,D-N-Carboxydihydro-1-methyllysergamine I benzyl ester,D-[(4,6,6a,7,8,9,10,10a-Octahydro-4,7-dimethyl-10aα-indolo[4,3-fg]quinolin-9β-yl)methyl]carbamic acid benzyl ester,FI 6337,Liserdol,MCE,Metergolin,Methergoline,[(1,6-Dimethylergolin-8β-yl)methyl]carbamic Acid Benzyl Ester,N-Carboxy-9,10-dihydro-1-methyllysergamine Benzyl Ester IUPAC Name: benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate SMILES: CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45
(+/-)-Blebbistatin, TRC
CAS: 674289-55-5 Molecular Formula: C18 H16 N2 O2 Molecular Weight (g/mol): 292.33 IUPAC Name: 3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one SMILES: Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c4ccccc4
Acridine, TRC
CAS: 260-94-6 Molecular Formula: C13 H9 N Molecular Weight (g/mol): 179.22 Synonym: Acridine,10-Azaanthracene,2,3-Benzoquinoline,9-Azaanthracene,Benzo[b]quinoline,Dibenzo[b,e]pyridine,NSC 3408 IUPAC Name: acridine SMILES: c1ccc2nc3ccccc3cc2c1
Chloroxine, TRC
CAS: 773-76-2 Molecular Formula: C9 H5 Cl2 N O Molecular Weight (g/mol): 214.05 Synonym: 5,7-Dichloroquinolin-8-ol,Clioquinol Imp. B (EP) IUPAC Name: 5,7-dichloroquinolin-8-ol SMILES: Oc1c(Cl)cc(Cl)c2cccnc12
Cilostazol, TRC
CAS: 73963-72-1 Molecular Formula: C20 H27 N5 O2 Molecular Weight (g/mol): 369.46 Synonym: 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone,6-[4-(1-Cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril,6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one,Cilostazol,Cilostazole,OPC 13013,OPC 21,Pletaal,Pletal IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1
Levofloxacin, TRC
CAS: 100986-85-4 Molecular Formula: C18 H20 F N3 O4 Molecular Weight (g/mol): 361.37 Synonym: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (S)-,(3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(-)-Ofloxacin,(S)-(-)-Ofloxacin,(S)-Ofloxacin,Cravit,DR 3355,HR 355,Levaquin,Levoflox,Levofloxacin,Loxof,MP 376,Oftaquix,Quixin,RWJ 25213-097,Tavanic,Unibiotic,Venaxan IUPAC Name: (3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Floctafenine, TRC
CAS: 23779-99-9 Molecular Formula: C20 H17 F3 N2 O4 Molecular Weight (g/mol): 406.36 Synonym: Benzoic acid, 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]-, 2,3-dihydroxypropyl ester,Anthranilic acid, N-[8-(trifluoromethyl)-4-quinolyl]-, 2,3-dihydroxypropyl ester (8CI),Glycerol, 1-[N-[8-(trifluoromethyl)-4-quinolyl]anthranilate] (8CI),Diralgan,Floctafenin,Floctafenine,Idalon,Idarac,Novodolan,R 4138,R 4318,RU 15750 IUPAC Name: 2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate SMILES: OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F
Nadifloxacin, TRC
CAS: 124858-35-1 Molecular Formula: C19 H21 F N2 O4 Molecular Weight (g/mol): 360.38 Synonym: 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-,1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-, (±)-,9-Fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid,9-Fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid,Jinofloxacin,Nadifloxacin,Nadixa,OPC 7251 SMILES: CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O