3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

C175H139Cl3F13N25O8 — CID 160658615

IUPAC3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCOc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1)c1ccccn1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(Cc3ccccc3)c(Cl)c2c1)c1ccccn1
InChIInChI=1S/C31H23F2N5O.C30H23ClF2N4O.C29H24ClF2N3O2.C29H23F2N5O.C29H26F2N4O2.C27H20ClF3N4O/c1-30(32,33)29-25(14-20-6-4-3-5-7-20)26(17-35)24-15-23(12-13-27(24)37-29)31(39,28-18-36-19-38(28)2)22-10-8-21(16-34)9-11-22;1-29(32,33)28-24(14-19-6-4-3-5-7-19)25(16-34)23-15-21(10-13-26(23)36-28)30(38,27-17-35-18-37(27)2)20-8-11-22(31)12-9-20;1-28(31,32)27-23(14-18-6-4-3-5-7-18)26(36)22-15-20(10-13-24(22)34-27)29(37,25-16-33-17-35(25)2)19-8-11-21(30)12-9-19;1-28(30,31)27-22(14-19-8-4-3-5-9-19)23(16-32)21-15-20(11-12-24(21)35-27)29(37,25-10-6-7-13-34-25)26-17-33-18-36(26)2;1-28(30,31)27-22(15-19-9-5-4-6-10-19)26(37-3)21-16-20(12-13-23(21)34-27)29(36,24-11-7-8-14-33-24)25-17-32-18-35(25)2;1-35-16-32-15-23(35)26(36,22-9-5-6-12-33-22)18-10-11-21-19(14-18)24(28)20(25(34-21)27(29,30)31)13-17-7-3-2-4-8-17/h3-13,15,18-19,39H,14H2,1-2H3;3-13,15,17-18,38H,14H2,1-2H3;3-13,15-17,37H,14H2,1-2H3,(H,34,36);3-13,15,17-18,37H,14H2,1-2H3;4-14,16-18,36H,15H2,1-3H3;2-12,14-16,36H,13H2,1H3
InChIKeyRLJKDLVPQIBAEW-UHFFFAOYSA-N
MW3073.54 g/mol
LogP34.57
Rot. Bonds36

About 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (PubChem CID 160658615) has the molecular formula C175H139Cl3F13N25O8 and a molecular weight of 3073.54 g/mol. Its IUPAC name is 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
PubChem CID160658615
Molecular FormulaC175H139Cl3F13N25O8
Molecular Weight3073.54 g/mol
Exact Mass3070.01
IUPAC Name3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
SMILESCOc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1)c1ccccn1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(Cc3ccccc3)c(Cl)c2c1)c1ccccn1
InChIInChI=1S/C31H23F2N5O.C30H23ClF2N4O.C29H24ClF2N3O2.C29H23F2N5O.C29H26F2N4O2.C27H20ClF3N4O/c1-30(32,33)29-25(14-20-6-4-3-5-7-20)26(17-35)24-15-23(12-13-27(24)37-29)31(39,28-18-36-19-38(28)2)22-10-8-21(16-34)9-11-22;1-29(32,33)28-24(14-19-6-4-3-5-7-19)25(16-34)23-15-21(10-13-26(23)36-28)30(38,27-17-35-18-37(27)2)20-8-11-22(31)12-9-20;1-28(31,32)27-23(14-18-6-4-3-5-7-18)26(36)22-15-20(10-13-24(22)34-27)29(37,25-16-33-17-35(25)2)19-8-11-21(30)12-9-19;1-28(30,31)27-22(14-19-8-4-3-5-9-19)23(16-32)21-15-20(11-12-24(21)35-27)29(37,25-10-6-7-13-34-25)26-17-33-18-36(26)2;1-28(30,31)27-22(15-19-9-5-4-6-10-19)26(37-3)21-16-20(12-13-23(21)34-27)29(36,24-11-7-8-14-33-24)25-17-32-18-35(25)2;1-35-16-32-15-23(35)26(36,22-9-5-6-12-33-22)18-10-11-21-19(14-18)24(28)20(25(34-21)27(29,30)31)13-17-7-3-2-4-8-17/h3-13,15,18-19,39H,14H2,1-2H3;3-13,15,17-18,38H,14H2,1-2H3;3-13,15-17,37H,14H2,1-2H3,(H,34,36);3-13,15,17-18,37H,14H2,1-2H3;4-14,16-18,36H,15H2,1-3H3;2-12,14-16,36H,13H2,1H3
InChIKeyRLJKDLVPQIBAEW-UHFFFAOYSA-N
XLogP34.57
TPSA468.67 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003073.54
LogP ≤ 534.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol with MolForge

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Launch Full Analysis

Related Compounds

[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;4-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;3-(cyclopropylmethoxy)-6-[hydroxy-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methyl]-2-methoxyquinoline-4-carbonitrile;3-ethoxy-6-[hydroxy-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]-2-methoxyquinoline-4-carbonitrile
CID 157115709
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
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-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;4-[[4-chloro-2-methyl-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
CID 157673337
4-Chloro-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;methyl 5-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,4-difluoro-6-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoate
CID 157674618
[4-Chloro-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile;3-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-4-carbonitrile
CID 157734003
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-2-cyclopropyl-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-3-[[[(2S)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[[(2R)-3,3-difluorobutan-2-yl]amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(3-methylcyclohexyl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methyl-3-(2,2,2-trifluoroethyl)quinoline-4-carbonitrile
CID 157830963
(4-Chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(3-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;5-[(3-chlorophenyl)-(2,4-dicyano-3-phenylquinolin-6-yl)-hydroxymethyl]pyridine-2-carboxamide;6-[(3-chlorophenyl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-phenylquinoline-2,4-dicarbonitrile;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157903227
[4-Chloro-2-(diethylamino)-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-[2,4-dichloro-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;6-[(2,3-dimethylimidazol-4-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 157975637
[4-chloro-3-[(2,2-difluoropentan-3-ylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2,2-difluoropropyl(methyl)amino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[(2R)-1,1,1-trifluorobutan-2-yl]amino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[[[4-(trifluoromethyl)cyclohexyl]methylamino]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 157987148
[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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The IUPAC name of 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (CID 160658615) is 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.
What is the SMILES notation for 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The canonical SMILES for 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(C(C)(F)F)c(Cc3ccccc3)c(=O)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1.Cn1cncc1C(O)(c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(C#N)c2c1)c1ccccn1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(Cc3ccccc3)c(Cl)c2c1)c1ccccn1.
What is the InChIKey of 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
The InChIKey is RLJKDLVPQIBAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2N5O.C30H23ClF2N4O.C29H24ClF2N3O2.C29H23F2N5O.C29H26F2N4O2.C27H20ClF3N4O/c1-30(32,33)29-25(14-20-6-4-3-5-7-20)26(17-35)24-15-23(12-13-27(24)37-29)31(39,28-18-36-19-38(28)2)22-10-8-21(16-34)9-11-22;1-29(32,33)28-24(14-19-6-4-3-5-7-19)25(16-34)23-15-21(10-13-26(23)36-28)30(38,27-17-35-18-37(27)2)20-8-11-22(31)12-9-20;1-28(31,32)27-23(14-18-6-4-3-5-7-18)26(36)22-15-20(10-13-24(22)34-27)29(37,25-16-33-17-35(25)2)19-8-11-21(30)12-9-19;1-28(30,31)27-22(14-19-8-4-3-5-9-19)23(16-32)21-15-20(11-12-24(21)35-27)29(37,25-10-6-7-13-34-25)26-17-33-18-36(26)2;1-28(30,31)27-22(15-19-9-5-4-6-10-19)26(37-3)21-16-20(12-13-23(21)34-27)29(36,24-11-7-8-14-33-24)25-17-32-18-35(25)2;1-35-16-32-15-23(35)26(36,22-9-5-6-12-33-22)18-10-11-21-19(14-18)24(28)20(25(34-21)27(29,30)31)13-17-7-3-2-4-8-17/h3-13,15,18-19,39H,14H2,1-2H3;3-13,15,17-18,38H,14H2,1-2H3;3-13,15-17,37H,14H2,1-2H3,(H,34,36);3-13,15,17-18,37H,14H2,1-2H3;4-14,16-18,36H,15H2,1-3H3;2-12,14-16,36H,13H2,1H3.
What are the key properties of 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?
3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol has a molecular weight of 3073.54 g/mol, XLogP of 34.57, 36 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)-1H-quinolin-4-one;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;3-benzyl-6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(1,1-difluoroethyl)quinoline-4-carbonitrile;3-benzyl-2-(1,1-difluoroethyl)-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]quinoline-4-carbonitrile;[3-benzyl-2-(1,1-difluoroethyl)-4-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 160658615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).