[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

C172H140Cl3F17N28O8S — CID 161001812

About [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol

[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 161001812) has the molecular formula C172H140Cl3F17N28O8S and a molecular weight of 3188.59 g/mol. Its IUPAC name is [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 161001812
• Molecular Formula: C172H140Cl3F17N28O8S
• Molecular Weight: 3188.59 g/mol
• Exact Mass: 3184.99
• IUPAC Name: [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol
• SMILES: COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2cc1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(Cl)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
• InChI: InChI=1S/C30H22ClF3N6O.C29H22ClF5N4O.C29H23F2N5O.C29H26F2N4O2.C28H27F2N5O2S.C27H20ClF3N4O/c1-39-18-35-17-26(39)29(41,21-9-11-25(36-16-21)30(32,33)34)20-8-10-24-22(15-20)27(31)23(14-19-6-3-2-4-7-19)28(38-24)40-13-5-12-37-40;1-27(31,32)26-21(12-17-6-4-3-5-7-17)25(30)20-13-18(8-10-22(20)38-26)28(40,24-15-36-16-39(24)2)19-9-11-23(37-14-19)29(33,34)35;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;1-16-25(38-17(2)32-16)28(36,24-15-31-34-35(24)4)22-10-11-23-19(14-22)13-20(26(33-23)37-5)12-18-6-8-21(9-7-18)27(3,29)30;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/h2-13,15-18,41H,14H2,1H3;3-11,13-16,40H,12H2,1-2H3;3-13,15,17-18,37H,14H2,1-2H3;4-14,16-18,36H,15H2,1-3H3;6-11,13-15,36H,12H2,1-5H3;2-12,14-16,36H,13H2,1H3
• InChIKey: TVZDOIYRRUGGNI-UHFFFAOYSA-N
• XLogP: 35.04
• TPSA: 455.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3188.59
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol (CID 161001812) is [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is COc1c(Cc2ccccc2)c(C(C)(F)F)nc2ccc(C(O)(c3ccccn3)c3cncn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2cc1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(-n3cccn3)c(Cc3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C(C)(F)F)c(Cc3ccccc3)c(Cl)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-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is TVZDOIYRRUGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClF3N6O.C29H22ClF5N4O.C29H23F2N5O.C29H26F2N4O2.C28H27F2N5O2S.C27H20ClF3N4O/c1-39-18-35-17-26(39)29(41,21-9-11-25(36-16-21)30(32,33)34)20-8-10-24-22(15-20)27(31)23(14-19-6-3-2-4-7-19)28(38-24)40-13-5-12-37-40;1-27(31,32)26-21(12-17-6-4-3-5-7-17)25(30)20-13-18(8-10-22(20)38-26)28(40,24-15-36-16-39(24)2)19-9-11-23(37-14-19)29(33,34)35;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;1-16-25(38-17(2)32-16)28(36,24-15-31-34-35(24)4)22-10-11-23-19(14-22)13-20(26(33-23)37-5)12-18-6-8-21(9-7-18)27(3,29)30;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/h2-13,15-18,41H,14H2,1H3;3-11,13-16,40H,12H2,1-2H3;3-13,15,17-18,37H,14H2,1-2H3;4-14,16-18,36H,15H2,1-3H3;6-11,13-15,36H,12H2,1-5H3;2-12,14-16,36H,13H2,1H3.

What are the key properties of [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol?

[3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 3188.59 g/mol, XLogP of 35.04, 37 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [3-benzyl-4-chloro-2-(1,1-difluoroethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(3-benzyl-4-chloro-2-pyrazol-1-ylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[3-benzyl-4-chloro-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;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-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 161001812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).