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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol

C165H141Cl9F9N27O14S — CID 160991216

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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 160991216) has the molecular formula C165H141Cl9F9N27O14S and a molecular weight of 3248.24 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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
• PubChem CID: 160991216
• Molecular Formula: C165H141Cl9F9N27O14S
• Molecular Weight: 3248.24 g/mol
• Exact Mass: 3241.79
• 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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
• SMILES: COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1.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.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccn3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3cccnc3)c(Cl)c2c1
• InChI: InChI=1S/C31H31F2N5O3.C30H31ClF2N4O3.C28H22ClF3N4O4S.C26H23ClF2N6O2.2C25H17Cl3N4O/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;1-32-14-30-13-21(32)25(33,16-4-7-18(26)8-5-16)17-6-9-20-19(11-17)23(27)22(24(28)31-20)15-3-2-10-29-12-15;1-32-14-29-13-21(32)25(33,15-5-8-17(26)9-6-15)16-7-10-19-18(12-16)23(27)22(24(28)31-19)20-4-2-3-11-30-20/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;2*2-14,33H,1H3
• InChIKey: TUQQCNIWXXCPIJ-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 510.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3248.24
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (CID 160991216) 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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(S(C)(=O)=O)cc1.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.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccn3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3cccnc3)c(Cl)c2c1.

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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?

The InChIKey is TUQQCNIWXXCPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N5O3.C30H31ClF2N4O3.C28H22ClF3N4O4S.C26H23ClF2N6O2.2C25H17Cl3N4O/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;1-32-14-30-13-21(32)25(33,16-4-7-18(26)8-5-16)17-6-9-20-19(11-17)23(27)22(24(28)31-20)15-3-2-10-29-12-15;1-32-14-29-13-21(32)25(33,15-5-8-17(26)9-6-15)16-7-10-19-18(12-16)23(27)22(24(28)31-19)20-4-2-3-11-30-20/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;2*2-14,33H,1H3.

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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 3248.24 g/mol, XLogP of 33.79, 32 rotatable bonds, 6 hydrogen bond donors, and 39 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-(4-methylsulfonylphenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-2-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-pyridin-3-ylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 160991216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).