3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C163H133Cl4F8N17O13 — CID 158355727

IUPAC3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccc5)cc4)c(Cl)c3c2)cc1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)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)(c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c(=O)c2c1)c1ccccn1
InChIInChI=1S/C35H30ClN3O4.C34H25ClF3N3O2.C34H32ClFN4O3.C33H25ClFN3O2.C27H21F3N4O2/c1-41-31-15-11-25(21-32(31)42-2)35(40,26-7-6-16-37-22-26)24-10-14-30-28(20-24)33(36)29(34(38-30)43-3)19-23-8-12-27(13-9-23)39-17-4-5-18-39;1-43-32-29(19-22-6-13-27(14-7-22)41-17-2-3-18-41)31(35)28-20-25(12-15-30(28)40-32)33(42,26-5-4-16-39-21-26)23-8-10-24(11-9-23)34(36,37)38;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;1-34-16-31-15-23(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/h4-18,20-22,40H,19H2,1-3H3;2-18,20-21,42H,19H2,1H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;2-12,14-16,36H,13H2,1H3,(H,33,35)
InChIKeyGSVVMNUJZYMEIC-UHFFFAOYSA-N
MW2831.76 g/mol
LogP32.90
Rot. Bonds35

About 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 158355727) has the molecular formula C163H133Cl4F8N17O13 and a molecular weight of 2831.76 g/mol. Its IUPAC name is 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID158355727
Molecular FormulaC163H133Cl4F8N17O13
Molecular Weight2831.76 g/mol
Exact Mass2827.89
IUPAC Name3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccc5)cc4)c(Cl)c3c2)cc1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)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)(c1ccc2[nH]c(C(F)(F)F)c(Cc3ccccc3)c(=O)c2c1)c1ccccn1
InChIInChI=1S/C35H30ClN3O4.C34H25ClF3N3O2.C34H32ClFN4O3.C33H25ClFN3O2.C27H21F3N4O2/c1-41-31-15-11-25(21-32(31)42-2)35(40,26-7-6-16-37-22-26)24-10-14-30-28(20-24)33(36)29(34(38-30)43-3)19-23-8-12-27(13-9-23)39-17-4-5-18-39;1-43-32-29(19-22-6-13-27(14-7-22)41-17-2-3-18-41)31(35)28-20-25(12-15-30(28)40-32)33(42,26-5-4-16-39-21-26)23-8-10-24(11-9-23)34(36,37)38;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;1-34-16-31-15-23(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/h4-18,20-22,40H,19H2,1-3H3;2-18,20-21,42H,19H2,1H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;2-12,14-16,36H,13H2,1H3,(H,33,35)
InChIKeyGSVVMNUJZYMEIC-UHFFFAOYSA-N
XLogP32.90
TPSA363.25 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002831.76
LogP ≤ 532.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol with MolForge

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Related Compounds

7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157204161
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-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-ethyl-3-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;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]quinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 157534649
[4-chloro-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 157711980
3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile;[2,4-dichloro-3-[(4-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 157797001
[4-chloro-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(1-pyrrolidin-1-ylethenyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
CID 157988564
[4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 158097933
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
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;1-[4-[[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 158405147
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-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-N,N-dimethylquinoline-3-carboxamide;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-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 158427082
1-[4-[[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 158726490
[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methylquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methylquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-3-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 158913715

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;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 158355727) is 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is COc1ccc(C(O)(c2cccnc2)c2ccc3nc(OC)c(Cc4ccc(-n5cccc5)cc4)c(Cl)c3c2)cc1OC.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)cc3)c3cccnc3)cc2c(Cl)c1Cc1ccc(-n2cccc2)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)(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;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is GSVVMNUJZYMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClN3O4.C34H25ClF3N3O2.C34H32ClFN4O3.C33H25ClFN3O2.C27H21F3N4O2/c1-41-31-15-11-25(21-32(31)42-2)35(40,26-7-6-16-37-22-26)24-10-14-30-28(20-24)33(36)29(34(38-30)43-3)19-23-8-12-27(13-9-23)39-17-4-5-18-39;1-43-32-29(19-22-6-13-27(14-7-22)41-17-2-3-18-41)31(35)28-20-25(12-15-30(28)40-32)33(42,26-5-4-16-39-21-26)23-8-10-24(11-9-23)34(36,37)38;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;1-34-16-31-15-23(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/h4-18,20-22,40H,19H2,1-3H3;2-18,20-21,42H,19H2,1H3;3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3;2-18,20-21,39H,19H2,1H3;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;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
3-benzyl-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-2-(trifluoromethyl)-1H-quinolin-4-one;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 2831.76 g/mol, XLogP of 32.90, 35 rotatable bonds, 6 hydrogen bond donors, and 28 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;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]-(3,4-dimethoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-fluorophenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 158355727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).