4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol

C185H133Cl16F6N23O10S — CID 161331745

About 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol

4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol (PubChem CID 161331745) has the molecular formula C185H133Cl16F6N23O10S and a molecular weight of 3551.55 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

• Compound Name: 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol
• PubChem CID: 161331745
• Molecular Formula: C185H133Cl16F6N23O10S
• Molecular Weight: 3551.55 g/mol
• Exact Mass: 3541.52
• IUPAC Name: 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol
• SMILES: Cc1cc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(N(C)C)c(-c4ccccc4)c(Cl)c3c2)on1.Cc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)on1.Cc1nc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)cs1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(C#N)c(-c4ccccc4)c(Cl)c3c2)n1C.Cc1noc(C)c1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1c(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)cnc1Cl.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1
• InChI: InChI=1S/C28H20Cl2N4O.C28H23Cl2N3O2.C28H18ClF6N3O.C27H19Cl3N2O2.C26H17Cl4N3O.C24H18Cl2N4O2.C24H18Cl2N4OS/c1-17-32-16-25(34(17)2)28(35,19-8-11-21(29)12-9-19)20-10-13-23-22(14-20)27(30)26(24(15-31)33-23)18-6-4-3-5-7-18;1-17-15-24(35-32-17)28(34,19-9-12-21(29)13-10-19)20-11-14-23-22(16-20)26(30)25(27(31-23)33(2)3)18-7-5-4-6-8-18;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;1-15-24(16(2)34-32-15)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)23(26(30)31-22)17-6-4-3-5-7-17;1-33-21(14-31-25(33)30)26(34,16-7-10-18(27)11-8-16)17-9-12-20-19(13-17)23(28)22(24(29)32-20)15-5-3-2-4-6-15;1-14-10-20(32-29-14)24(31,19-12-27-13-30(19)2)16-8-9-18-17(11-16)22(25)21(23(26)28-18)15-6-4-3-5-7-15;1-14-28-19(12-32-14)24(31,20-11-27-13-30(20)2)16-8-9-18-17(10-16)22(25)21(23(26)29-18)15-6-4-3-5-7-15/h3-14,16,35H,1-2H3;4-16,34H,1-3H3;2-15,39H,1H3;3-14,33H,1-2H3;2-14,34H,1H3;2*3-13,31H,1-2H3
• InChIKey: VLMWCVMBZAXQGU-UHFFFAOYSA-N
• XLogP: 47.67
• TPSA: 438.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3551.55
LogP ≤ 5	47.67
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)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol?

The IUPAC name of 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol (CID 161331745) is 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol.

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

The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol is Cc1cc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(N(C)C)c(-c4ccccc4)c(Cl)c3c2)on1.Cc1cc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)on1.Cc1nc(C(O)(c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)c2cncn2C)cs1.Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3nc(C#N)c(-c4ccccc4)c(Cl)c3c2)n1C.Cc1noc(C)c1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1c(C(O)(c2ccc(Cl)cc2)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)cnc1Cl.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1.

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

The InChIKey is VLMWCVMBZAXQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4O.C28H23Cl2N3O2.C28H18ClF6N3O.C27H19Cl3N2O2.C26H17Cl4N3O.C24H18Cl2N4O2.C24H18Cl2N4OS/c1-17-32-16-25(34(17)2)28(35,19-8-11-21(29)12-9-19)20-10-13-23-22(14-20)27(30)26(24(15-31)33-23)18-6-4-3-5-7-18;1-17-15-24(35-32-17)28(34,19-9-12-21(29)13-10-19)20-11-14-23-22(16-20)26(30)25(27(31-23)33(2)3)18-7-5-4-6-8-18;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;1-15-24(16(2)34-32-15)27(33,18-8-11-20(28)12-9-18)19-10-13-22-21(14-19)25(29)23(26(30)31-22)17-6-4-3-5-7-17;1-33-21(14-31-25(33)30)26(34,16-7-10-18(27)11-8-16)17-9-12-20-19(13-17)23(28)22(24(29)32-20)15-5-3-2-4-6-15;1-14-10-20(32-29-14)24(31,19-12-27-13-30(19)2)16-8-9-18-17(11-16)22(25)21(23(26)28-18)15-6-4-3-5-7-15;1-14-28-19(12-32-14)24(31,20-11-27-13-30(20)2)16-8-9-18-17(10-16)22(25)21(23(26)29-18)15-6-4-3-5-7-15/h3-14,16,35H,1-2H3;4-16,34H,1-3H3;2-15,39H,1H3;3-14,33H,1-2H3;2-14,34H,1H3;2*3-13,31H,1-2H3.

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

4-chloro-6-[(4-chlorophenyl)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol has a molecular weight of 3551.55 g/mol, XLogP of 47.67, 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)-(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-3-phenylquinoline-2-carbonitrile;[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl]-(4-chlorophenyl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2-chloro-3-methylimidazol-4-yl)-(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-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)-(3-methylimidazol-4-yl)-(3-methyl-1,2-oxazol-5-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 161331745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).