3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile

C161H134Cl3F8N25O9 — CID 158127840

IUPAC3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c(=O)c2c1)c1ccccn1
InChIInChI=1S/C35H32ClN7O.C34H32ClFN4O3.C33H25ClFN3O2.C32H24F3N7O.C27H21F3N4O2/c1-4-42(5-2)34-30(19-24-7-14-28(15-8-24)43-18-6-17-39-43)31(21-37)29-20-26(11-16-32(29)40-34)35(44,33-22-38-23-41(33)3)25-9-12-27(36)13-10-25;1-22(41)39-18-14-25(15-19-39)34(42,24-6-9-27(36)10-7-24)26-8-13-31-29(21-26)32(35)30(33(38-31)43-2)20-23-4-11-28(12-5-23)40-17-3-16-37-40;1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(34)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(35)12-9-23;1-41-13-12-38-30(41)29-24(14-20-6-4-3-5-7-20)25(16-36)23-15-21(8-10-26(23)40-29)31(43,28-18-37-19-42(28)2)22-9-11-27(39-17-22)32(33,34)35;1-34-16-31-15-23(34)26(36,22-9-5-6-12-32-22)18-10-11-21-19(14-18)24(35)20(25(33-21)27(28,29)30)13-17-7-3-2-4-8-17/h6-18,20,22-23,44H,4-5,19H2,1-3H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;3-13,15,17-19,43H,14H2,1-2H3;2-12,14-16,36H,13H2,1H3,(H,33,35)
InChIKeyFSKDXDOPZKWHBR-UHFFFAOYSA-N
MW2821.35 g/mol
LogP29.88
Rot. Bonds34

About 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile

3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile (PubChem CID 158127840) has the molecular formula C161H134Cl3F8N25O9 and a molecular weight of 2821.35 g/mol. Its IUPAC name is 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
PubChem CID158127840
Molecular FormulaC161H134Cl3F8N25O9
Molecular Weight2821.35 g/mol
Exact Mass2817.97
IUPAC Name3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
SMILESCCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c(=O)c2c1)c1ccccn1
InChIInChI=1S/C35H32ClN7O.C34H32ClFN4O3.C33H25ClFN3O2.C32H24F3N7O.C27H21F3N4O2/c1-4-42(5-2)34-30(19-24-7-14-28(15-8-24)43-18-6-17-39-43)31(21-37)29-20-26(11-16-32(29)40-34)35(44,33-22-38-23-41(33)3)25-9-12-27(36)13-10-25;1-22(41)39-18-14-25(15-19-39)34(42,24-6-9-27(36)10-7-24)26-8-13-31-29(21-26)32(35)30(33(38-31)43-2)20-23-4-11-28(12-5-23)40-17-3-16-37-40;1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(34)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(35)12-9-23;1-41-13-12-38-30(41)29-24(14-20-6-4-3-5-7-20)25(16-36)23-15-21(8-10-26(23)40-29)31(43,28-18-37-19-42(28)2)22-9-11-27(39-17-22)32(33,34)35;1-34-16-31-15-23(34)26(36,22-9-5-6-12-32-22)18-10-11-21-19(14-18)24(35)20(25(33-21)27(28,29)30)13-17-7-3-2-4-8-17/h6-18,20,22-23,44H,4-5,19H2,1-3H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;3-13,15,17-19,43H,14H2,1-2H3;2-12,14-16,36H,13H2,1H3,(H,33,35)
InChIKeyFSKDXDOPZKWHBR-UHFFFAOYSA-N
XLogP29.88
TPSA425.68 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002821.35
LogP ≤ 529.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-cyclopropyl-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;4-chloro-N-cyclopropyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(dimethylamino)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157051315
Azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methyltriazol-4-yl)methanol;[2,4-bis[methoxy(methyl)amino]-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;tert-butyl 3-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-hydroxymethyl]azetidine-1-carboxylate;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol
CID 157083889
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclobutane-1-carboxamide;tert-butyl 4-[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinolin-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-[2-(trifluoromethyl)-4-pyridinyl]methyl]azetidine-1-carboxylate
CID 157110510
[2-(Azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;4-[[4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-2-methoxy-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-2,4-dicarbonitrile
CID 157111385
3-Benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;[4-chloro-2-(cyclopropylamino)-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol;[4-chloro-2-(3-fluoro-3-methylazetidin-1-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157129522
azetidin-3-yl-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;1-[4-[[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;(3-benzyl-4-chloro-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine;1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine;2-[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-2-(2,6-dimethyl-3-pyridinyl)-2-(3-methyltriazol-4-yl)ethanamine
CID 157206478
[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-(2-methoxyethoxy)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinoline-4-carbonitrile
CID 157325347
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
CID 157354430
N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]-1-methylcyclopropane-1-carboxamide;N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]propanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinoline-4-carbonitrile
CID 157411235
[4-Chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;3-(2,2-difluoropropyl)-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile
CID 157422765
[4-(Azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2-(azetidin-1-yl)-4-chloro-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;1-[3-[[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-ylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157570595
[4-Chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 157637406

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?
The IUPAC name of 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile (CID 158127840) is 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile.
What is the SMILES notation for 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?
The canonical SMILES for 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile is CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2ccc(C(O)(c3ccc(F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-c3nccn3C)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c(=O)c2c1)c1ccccn1.
What is the InChIKey of 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?
The InChIKey is FSKDXDOPZKWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32ClN7O.C34H32ClFN4O3.C33H25ClFN3O2.C32H24F3N7O.C27H21F3N4O2/c1-4-42(5-2)34-30(19-24-7-14-28(15-8-24)43-18-6-17-39-43)31(21-37)29-20-26(11-16-32(29)40-34)35(44,33-22-38-23-41(33)3)25-9-12-27(36)13-10-25;1-22(41)39-18-14-25(15-19-39)34(42,24-6-9-27(36)10-7-24)26-8-13-31-29(21-26)32(35)30(33(38-31)43-2)20-23-4-11-28(12-5-23)40-17-3-16-37-40;1-40-32-29(19-22-6-13-27(14-7-22)38-17-2-3-18-38)31(34)28-20-24(10-15-30(28)37-32)33(39,25-5-4-16-36-21-25)23-8-11-26(35)12-9-23;1-41-13-12-38-30(41)29-24(14-20-6-4-3-5-7-20)25(16-36)23-15-21(8-10-26(23)40-29)31(43,28-18-37-19-42(28)2)22-9-11-27(39-17-22)32(33,34)35;1-34-16-31-15-23(34)26(36,22-9-5-6-12-32-22)18-10-11-21-19(14-18)24(35)20(25(33-21)27(28,29)30)13-17-7-3-2-4-8-17/h6-18,20,22-23,44H,4-5,19H2,1-3H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;3-13,15,17-19,43H,14H2,1-2H3;2-12,14-16,36H,13H2,1H3,(H,33,35).
What are the key properties of 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?
3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile has a molecular weight of 2821.35 g/mol, XLogP of 29.88, 34 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-(1-methylimidazol-2-yl)quinoline-4-carbonitrile;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile is sourced from PubChem (CID 158127840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).