6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C140H127Cl4F12N25O14S — CID 159009806

About 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 159009806) has the molecular formula C140H127Cl4F12N25O14S and a molecular weight of 2785.57 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 159009806
• Molecular Formula: C140H127Cl4F12N25O14S
• Molecular Weight: 2785.57 g/mol
• Exact Mass: 2781.83
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• SMILES: COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1cnn(C)c1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(C#N)c1-c1cccc(C(C)(F)F)c1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1-c1cccc(C(C)(F)F)c1.COc1nc2ccc(C(O)(c3cncn3C)c3cnnn3C)cc2c(Cl)c1-c1cccc(C(C)(F)F)c1
• InChI: InChI=1S/C31H31F2N5O3.C30H31ClF2N4O3.C28H22ClF3N4O4S.C26H23ClF2N6O2.C25H20ClF3N6O2/c1-19(39)38-12-10-21(11-13-38)31(40,27-17-35-18-37(27)3)23-8-9-26-24(15-23)25(16-34)28(29(36-26)41-4)20-6-5-7-22(14-20)30(2,32)33;1-18(38)37-12-10-20(11-13-37)30(39,25-16-34-17-36(25)3)22-8-9-24-23(15-22)27(31)26(28(35-24)40-4)19-6-5-7-21(14-19)29(2,32)33;1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39;1-25(28,29)16-7-5-6-15(10-16)22-23(27)18-11-17(8-9-19(18)32-24(22)37-4)26(36,20-12-30-14-34(20)2)21-13-31-33-35(21)3;1-34-13-30-11-20(34)24(36,16-5-7-19(31-10-16)25(27,28)29)15-4-6-18-17(8-15)22(26)21(23(33-18)37-3)14-9-32-35(2)12-14/h5-9,14-15,17-18,21,40H,10-13H2,1-4H3;5-9,14-17,20,39H,10-13H2,1-4H3;4-15,37H,1-3H3;5-14,36H,1-4H3;4-13,36H,1-3H3
• InChIKey: JSINFYXZPOSEPS-UHFFFAOYSA-N
• XLogP: 25.97
• TPSA: 473.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.57
LogP ≤ 5	25.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 159009806) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1cnn(C)c1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(C#N)c1-c1cccc(C(C)(F)F)c1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1-c1cccc(C(C)(F)F)c1.COc1nc2ccc(C(O)(c3cncn3C)c3cnnn3C)cc2c(Cl)c1-c1cccc(C(C)(F)F)c1.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is JSINFYXZPOSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O3.C30H31ClF2N4O3.C28H22ClF3N4O4S.C26H23ClF2N6O2.C25H20ClF3N6O2/c1-19(39)38-12-10-21(11-13-38)31(40,27-17-35-18-37(27)3)23-8-9-26-24(15-23)25(16-34)28(29(36-26)41-4)20-6-5-7-22(14-20)30(2,32)33;1-18(38)37-12-10-20(11-13-37)30(39,25-16-34-17-36(25)3)22-8-9-24-23(15-22)27(31)26(28(35-24)40-4)19-6-5-7-21(14-19)29(2,32)33;1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39;1-25(28,29)16-7-5-6-15(10-16)22-23(27)18-11-17(8-9-19(18)32-24(22)37-4)26(36,20-12-30-14-34(20)2)21-13-31-33-35(21)3;1-34-13-30-11-20(34)24(36,16-5-7-19(31-10-16)25(27,28)29)15-4-6-18-17(8-15)22(26)21(23(33-18)37-3)14-9-32-35(2)12-14/h5-9,14-15,17-18,21,40H,10-13H2,1-4H3;5-9,14-17,20,39H,10-13H2,1-4H3;4-15,37H,1-3H3;5-14,36H,1-4H3;4-13,36H,1-3H3.

What are the key properties of 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 2785.57 g/mol, XLogP of 25.97, 29 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinoline-4-carbonitrile;1-[4-[[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;[4-chloro-3-[3-(1,1-difluoroethyl)phenyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1-methylpyrazol-4-yl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159009806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).