4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol

C192H134Cl15F6N25O8S — CID 158652945

About 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol

4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 158652945) has the molecular formula C192H134Cl15F6N25O8S and a molecular weight of 3597.20 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol
• PubChem CID: 158652945
• Molecular Formula: C192H134Cl15F6N25O8S
• Molecular Weight: 3597.20 g/mol
• Exact Mass: 3587.58
• IUPAC Name: 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol
• SMILES: Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)s1.Cc1nc2cc(C(O)(c3ccc4nc(Cl)c(-c5ccccc5)c(Cl)c4c3)c3cncn3C)ccc2o1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1.Cn1nncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc2nc(-c3cccnc3)c(-c3ccccc3)c(Cl)c2c1
• InChI: InChI=1S/C32H21Cl2N3O.C28H20Cl2N4O2.C28H18ClF6N3O.C27H20Cl3N3O.C27H18Cl2N4O.C25H17Cl3N4O.C25H20Cl2N4OS/c33-26-13-10-23(11-14-26)32(38,25-9-5-17-36-20-25)24-12-15-28-27(18-24)30(34)29(21-6-2-1-3-7-21)31(37-28)22-8-4-16-35-19-22;1-16-32-22-13-19(9-11-23(22)36-16)28(35,24-14-31-15-34(24)2)18-8-10-21-20(12-18)26(29)25(27(30)33-21)17-6-4-3-5-7-17;1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35;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;1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(13-19)26(29)25(23(14-30)32-22)17-5-3-2-4-6-17;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/h1-20,38H;3-15,35H,1-2H3;2-15,39H,1H3;3-15,34H,1-2H3;2-13,15-16,34H,1H3;2-14,33H,1H3;4-13,32H,1-3H3
• InChIKey: IBTUTQLLBJMWIN-UHFFFAOYSA-N
• XLogP: 48.10
• TPSA: 440.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3597.20
LogP ≤ 5	48.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

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-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol?

The IUPAC name of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol (CID 158652945) is 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol is Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)s1.Cc1nc2cc(C(O)(c3ccc4nc(Cl)c(-c5ccccc5)c(Cl)c4c3)c3cncn3C)ccc2o1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1.Cn1nncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc2nc(-c3cccnc3)c(-c3ccccc3)c(Cl)c2c1.

What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol?

The InChIKey is IBTUTQLLBJMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl2N3O.C28H20Cl2N4O2.C28H18ClF6N3O.C27H20Cl3N3O.C27H18Cl2N4O.C25H17Cl3N4O.C25H20Cl2N4OS/c33-26-13-10-23(11-14-26)32(38,25-9-5-17-36-20-25)24-12-15-28-27(18-24)30(34)29(21-6-2-1-3-7-21)31(37-28)22-8-4-16-35-19-22;1-16-32-22-13-19(9-11-23(22)36-16)28(35,24-14-31-15-34(24)2)18-8-10-21-20(12-18)26(29)25(27(30)33-21)17-6-4-3-5-7-17;1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35;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;1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-22-21(13-19)26(29)25(23(14-30)32-22)17-5-3-2-4-6-17;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/h1-20,38H;3-15,35H,1-2H3;2-15,39H,1H3;3-15,34H,1-2H3;2-13,15-16,34H,1H3;2-14,33H,1H3;4-13,32H,1-3H3.

What are the key properties of 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol?

4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 3597.20 g/mol, XLogP of 48.10, 29 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenylquinoline-2-carbonitrile;(4-chlorophenyl)-(4-chloro-3-phenyl-2-pyridin-3-ylquinolin-6-yl)-pyridin-3-ylmethanol;(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)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2-methyl-1,3-benzoxazol-5-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 158652945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).