[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C149H140Cl5F14N23O6 — CID 158752385

About [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 158752385) has the molecular formula C149H140Cl5F14N23O6 and a molecular weight of 2792.15 g/mol. Its IUPAC name is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

• Compound Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• PubChem CID: 158752385
• Molecular Formula: C149H140Cl5F14N23O6
• Molecular Weight: 2792.15 g/mol
• Exact Mass: 2787.96
• IUPAC Name: [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
• SMILES: CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.CCc1nc2ccc(C(O)(c3cnc(C)n3C)C3CCOCC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C(O)(c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C31H30ClF2N5O.C31H34ClF2N3O2.C30H28ClF2N5O.C29H21ClF6N4O.C28H27ClF2N6O/c1-6-26-23(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;1-5-26-24(16-20-6-8-21(9-7-20)30(3,33)34)29(32)25-17-23(10-11-27(25)36-26)31(38,22-12-14-39-15-13-22)28-18-35-19(2)37(28)4;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;1-16-21(11-17-3-5-18(6-4-17)28(31,32)33)26(30)22-12-19(7-8-23(22)39-16)27(41,25-14-37-15-40(25)2)20-9-10-38-24(13-20)29(34,35)36;1-16-21(12-18-6-8-19(9-7-18)27(3,30)31)26(29)22-13-20(10-11-23(22)34-16)28(38,25-15-33-35-37(25)5)24-14-32-17(2)36(24)4/h7-14,16-17,40H,6,15H2,1-5H3;6-11,17-18,22,38H,5,12-16H2,1-4H3;6-13,15-16,39H,14H2,1-5H3;3-10,12-15,41H,11H2,1-2H3;6-11,13-15,38H,12H2,1-5H3
• InChIKey: INQIVKKHCCFCRF-UHFFFAOYSA-N
• XLogP: 32.35
• TPSA: 359.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.15
LogP ≤ 5	32.35
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]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The IUPAC name of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 158752385) is [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

What is the SMILES notation for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The canonical SMILES for [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.CCc1nc2ccc(C(O)(c3cnc(C)n3C)C3CCOCC3)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C(O)(c2ccc3nc(C)c(Cc4ccc(C(C)(F)F)cc4)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.Cc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)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]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

The InChIKey is INQIVKKHCCFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30ClF2N5O.C31H34ClF2N3O2.C30H28ClF2N5O.C29H21ClF6N4O.C28H27ClF2N6O/c1-6-26-23(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;1-5-26-24(16-20-6-8-21(9-7-20)30(3,33)34)29(32)25-17-23(10-11-27(25)36-26)31(38,22-12-14-39-15-13-22)28-18-35-19(2)37(28)4;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;1-16-21(11-17-3-5-18(6-4-17)28(31,32)33)26(30)22-12-19(7-8-23(22)39-16)27(41,25-14-37-15-40(25)2)20-9-10-38-24(13-20)29(34,35)36;1-16-21(12-18-6-8-19(9-7-18)27(3,30)31)26(29)22-13-20(10-11-23(22)34-16)28(38,25-15-33-35-37(25)5)24-14-32-17(2)36(24)4/h7-14,16-17,40H,6,15H2,1-5H3;6-11,17-18,22,38H,5,12-16H2,1-4H3;6-13,15-16,39H,14H2,1-5H3;3-10,12-15,41H,11H2,1-2H3;6-11,13-15,38H,12H2,1-5H3.

What are the key properties of [4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?

[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-ethylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 2792.15 g/mol, XLogP of 32.35, 31 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]-(2,3-dimethylimidazol-4-yl)-(oxan-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]-(2,3-dimethylimidazol-4-yl)-(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;[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 158752385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).