4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile

C185H140Cl13N29O9S2 — CID 162191685

About 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile

4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile (PubChem CID 162191685) has the molecular formula C185H140Cl13N29O9S2 and a molecular weight of 3438.37 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile.

Molecular Properties

• Compound Name: 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile
• PubChem CID: 162191685
• Molecular Formula: C185H140Cl13N29O9S2
• Molecular Weight: 3438.37 g/mol
• Exact Mass: 3429.68
• IUPAC Name: 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile
• SMILES: COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3nccn3C)cc2c(OC)c1-c1ccccc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)c(C)n1.Cc1nc(C)c(C(O)(c2ccc3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)c2cnnn2C)s1.Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)s1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1.Cn1nncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
• InChI: InChI=1S/C28H24ClN3O3.C27H20Cl3N3O.C27H22Cl2N4O.C27H18Cl2N4O.C26H19N7OS.C25H17Cl3N4O.C25H20Cl2N4OS/c1-32-16-15-30-27(32)28(33,19-9-12-21(29)13-10-19)20-11-14-23-22(17-20)25(34-2)24(26(31-23)35-3)18-7-5-4-6-8-18;1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17;1-16-9-11-21(17(2)31-16)27(34,23-14-30-15-33(23)3)19-10-12-22-20(13-19)25(28)24(26(29)32-22)18-7-5-4-6-8-18;1-33-14-13-31-26(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(15-19)25(29)24(23(16-30)32-22)17-5-3-2-4-6-17;1-15-25(35-16(2)30-15)26(34,23-14-29-32-33(23)3)18-9-10-21-19(11-18)20(12-27)24(22(13-28)31-21)17-7-5-4-6-8-17;1-32-21(14-29-31-32)25(33,16-7-10-18(26)11-8-16)17-9-12-20-19(13-17)23(27)22(24(28)30-20)15-5-3-2-4-6-15;1-14-23(33-15(2)29-14)25(32,20-12-28-13-31(20)3)17-9-10-19-18(11-17)22(26)21(24(27)30-19)16-7-5-4-6-8-16/h4-17,33H,1-3H3;3-15,34H,1-2H3;4-15,34H,1-3H3;2-15,34H,1H3;4-11,14,34H,1-3H3;2-14,33H,1H3;4-13,32H,1-3H3
• InChIKey: ZQJUZUBHNQJHOD-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 510.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3438.37
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The IUPAC name of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile (CID 162191685) is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile.

What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile is COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3nccn3C)cc2c(OC)c1-c1ccccc1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)c(C)n1.Cc1nc(C)c(C(O)(c2ccc3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)c2cnnn2C)s1.Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)s1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1.Cn1nncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.

What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

The InChIKey is ZQJUZUBHNQJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3.C27H20Cl3N3O.C27H22Cl2N4O.C27H18Cl2N4O.C26H19N7OS.C25H17Cl3N4O.C25H20Cl2N4OS/c1-32-16-15-30-27(32)28(33,19-9-12-21(29)13-10-19)20-11-14-23-22(17-20)25(34-2)24(26(31-23)35-3)18-7-5-4-6-8-18;1-16-31-15-23(33(16)2)27(34,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)24(26(30)32-22)17-6-4-3-5-7-17;1-16-9-11-21(17(2)31-16)27(34,23-14-30-15-33(23)3)19-10-12-22-20(13-19)25(28)24(26(29)32-22)18-7-5-4-6-8-18;1-33-14-13-31-26(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(15-19)25(29)24(23(16-30)32-22)17-5-3-2-4-6-17;1-15-25(35-16(2)30-15)26(34,23-14-29-32-33(23)3)18-9-10-21-19(11-18)20(12-27)24(22(13-28)31-21)17-7-5-4-6-8-17;1-32-21(14-29-31-32)25(33,16-7-10-18(26)11-8-16)17-9-12-20-19(13-17)23(27)22(24(28)30-20)15-5-3-2-4-6-15;1-14-23(33-15(2)29-14)25(32,20-12-28-13-31(20)3)17-9-10-19-18(11-17)22(26)21(24(27)30-19)16-7-5-4-6-8-16/h4-17,33H,1-3H3;3-15,34H,1-2H3;4-15,34H,1-3H3;2-15,34H,1H3;4-11,14,34H,1-3H3;2-14,33H,1H3;4-13,32H,1-3H3.

What are the key properties of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile?

4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile has a molecular weight of 3438.37 g/mol, XLogP of 41.82, 30 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;(4-chlorophenyl)-(2,4-dimethoxy-3-phenylquinolin-6-yl)-(1-methylimidazol-2-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;6-[(2,4-dimethyl-1,3-thiazol-5-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-phenylquinoline-2,4-dicarbonitrile is sourced from PubChem (CID 162191685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).