[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

C155H143Cl5F11N23O7 — CID 158913715

About [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

[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 (PubChem CID 158913715) has the molecular formula C155H143Cl5F11N23O7 and a molecular weight of 2826.25 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 158913715
• Molecular Formula: C155H143Cl5F11N23O7
• Molecular Weight: 2826.25 g/mol
• Exact Mass: 2821.98
• IUPAC Name: [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
• SMILES: CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)CC1.CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C(O)(c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C33H33ClF2N2O2.C31H30ClF2N5O.C31H28ClN7O2.C30H24ClF5N4O.C30H28ClF2N5O/c1-21-28(19-23-9-11-24(12-10-23)32(3,35)36)31(34)29-20-27(13-14-30(29)37-21)33(40,25-7-5-4-6-8-25)26-15-17-38(18-16-26)22(2)39;1-6-26-23(15-20-8-10-21(11-9-20)30(4,33)34)29(32)24-16-22(12-14-27(24)37-26)31(40,28-17-35-38-39(28)5)25-13-7-18(2)36-19(25)3;1-19-5-11-26(20(2)35-19)31(40,28-17-34-37-38(28)3)22-8-12-27-24(16-22)29(32)25(30(36-27)41-4)15-21-6-9-23(10-7-21)39-14-13-33-18-39;1-17-22(12-18-4-6-19(7-5-18)28(2,32)33)27(31)23-13-20(8-10-24(23)39-17)29(41,26-15-37-16-40(26)3)21-9-11-25(38-14-21)30(34,35)36;1-17-6-12-25(19(3)35-17)30(39,27-16-34-37-38(27)5)22-11-13-26-24(15-22)28(31)23(18(2)36-26)14-20-7-9-21(10-8-20)29(4,32)33/h4-14,20,26,40H,15-19H2,1-3H3;7-14,16-17,40H,6,15H2,1-5H3;5-14,16-18,40H,15H2,1-4H3;4-11,13-16,41H,12H2,1-3H3;6-13,15-16,39H,14H2,1-5H3
• InChIKey: JGYWYUNDSDULMA-UHFFFAOYSA-N
• XLogP: 32.72
• TPSA: 374.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2826.25
LogP ≤ 5	32.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)CC1.CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2ccnc2)cc1.Cc1ccc(C(O)(c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of [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?

The InChIKey is JGYWYUNDSDULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClF2N2O2.C31H30ClF2N5O.C31H28ClN7O2.C30H24ClF5N4O.C30H28ClF2N5O/c1-21-28(19-23-9-11-24(12-10-23)32(3,35)36)31(34)29-20-27(13-14-30(29)37-21)33(40,25-7-5-4-6-8-25)26-15-17-38(18-16-26)22(2)39;1-6-26-23(15-20-8-10-21(11-9-20)30(4,33)34)29(32)24-16-22(12-14-27(24)37-26)31(40,28-17-35-38-39(28)5)25-13-7-18(2)36-19(25)3;1-19-5-11-26(20(2)35-19)31(40,28-17-34-37-38(28)3)22-8-12-27-24(16-22)29(32)25(30(36-27)41-4)15-21-6-9-23(10-7-21)39-14-13-33-18-39;1-17-22(12-18-4-6-19(7-5-18)28(2,32)33)27(31)23-13-20(8-10-24(23)39-17)29(41,26-15-37-16-40(26)3)21-9-11-25(38-14-21)30(34,35)36;1-17-6-12-25(19(3)35-17)30(39,27-16-34-37-38(27)5)22-11-13-26-24(15-22)28(31)23(18(2)36-26)14-20-7-9-21(10-8-20)29(4,32)33/h4-14,20,26,40H,15-19H2,1-3H3;7-14,16-17,40H,6,15H2,1-5H3;5-14,16-18,40H,15H2,1-4H3;4-11,13-16,41H,12H2,1-3H3;6-13,15-16,39H,14H2,1-5H3.

What are the key properties of [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?

[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 has a molecular weight of 2826.25 g/mol, XLogP of 32.72, 32 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 158913715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).