4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C144H123Cl8FN22O10 — CID 158475942

About 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 158475942) has the molecular formula C144H123Cl8FN22O10 and a molecular weight of 2624.33 g/mol. Its IUPAC name is 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• PubChem CID: 158475942
• Molecular Formula: C144H123Cl8FN22O10
• Molecular Weight: 2624.33 g/mol
• Exact Mass: 2618.73
• IUPAC Name: 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• SMILES: COc1nc2c(C)cc(C(O)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(C)cc(C(O)c3cncn3C)cc2c(Cl)c1Cc1cccc(C)c1.COc1nc2ccc(C(O)c3ccc(C#N)cc3)cc2c(Cl)c1Cc1ccc(C#N)cc1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.Cc1ncc(C(O)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1cncc1C(O)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
• InChI: InChI=1S/C26H24ClN5O2.C26H18ClN3O2.C24H19Cl2N5O.C24H24ClN3O2.C23H21ClFN3O2.C21H17Cl2N3O/c1-16-11-18(25(33)22-14-28-15-31(22)2)13-20-23(27)21(26(34-3)30-24(16)20)12-17-5-7-19(8-6-17)32-10-4-9-29-32;1-32-26-22(12-16-2-4-17(14-28)5-3-16)24(27)21-13-20(10-11-23(21)30-26)25(31)19-8-6-18(15-29)7-9-19;1-30-14-27-13-21(30)23(32)16-5-8-20-18(12-16)22(25)19(24(26)29-20)11-15-3-6-17(7-4-15)31-10-2-9-28-31;1-14-6-5-7-16(8-14)10-19-21(25)18-11-17(23(29)20-12-26-13-28(20)3)9-15(2)22(18)27-24(19)30-4;1-13-26-12-20(28(13)2)22(29)15-6-9-19-17(11-15)21(24)18(23(27-19)30-3)10-14-4-7-16(25)8-5-14;1-12-24-11-17(26(12)2)20(27)14-8-9-16-15(10-14)19(22)18(21(23)25-16)13-6-4-3-5-7-13/h4-11,13-15,25,33H,12H2,1-3H3;2-11,13,25,31H,12H2,1H3;2-10,12-14,23,32H,11H2,1H3;5-9,11-13,23,29H,10H2,1-4H3;4-9,11-12,22,29H,10H2,1-3H3;3-11,20,27H,1-2H3
• InChIKey: HGXXGIDFFHQKES-UHFFFAOYSA-N
• XLogP: 30.25
• TPSA: 407.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2624.33
LogP ≤ 5	30.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The IUPAC name of 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 158475942) is 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is COc1nc2c(C)cc(C(O)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1.COc1nc2c(C)cc(C(O)c3cncn3C)cc2c(Cl)c1Cc1cccc(C)c1.COc1nc2ccc(C(O)c3ccc(C#N)cc3)cc2c(Cl)c1Cc1ccc(C#N)cc1.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(F)cc1.Cc1ncc(C(O)c2ccc3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)n1C.Cn1cncc1C(O)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.

What is the InChIKey of 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The InChIKey is HGXXGIDFFHQKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2.C26H18ClN3O2.C24H19Cl2N5O.C24H24ClN3O2.C23H21ClFN3O2.C21H17Cl2N3O/c1-16-11-18(25(33)22-14-28-15-31(22)2)13-20-23(27)21(26(34-3)30-24(16)20)12-17-5-7-19(8-6-17)32-10-4-9-29-32;1-32-26-22(12-16-2-4-17(14-28)5-3-16)24(27)21-13-20(10-11-23(21)30-26)25(31)19-8-6-18(15-29)7-9-19;1-30-14-27-13-21(30)23(32)16-5-8-20-18(12-16)22(25)19(24(26)29-20)11-15-3-6-17(7-4-15)31-10-2-9-28-31;1-14-6-5-7-16(8-14)10-19-21(25)18-11-17(23(29)20-12-26-13-28(20)3)9-15(2)22(18)27-24(19)30-4;1-13-26-12-20(28(13)2)22(29)15-6-9-19-17(11-15)21(24)18(23(27-19)30-3)10-14-4-7-16(25)8-5-14;1-12-24-11-17(26(12)2)20(27)14-8-9-16-15(10-14)19(22)18(21(23)25-16)13-6-4-3-5-7-13/h4-11,13-15,25,33H,12H2,1-3H3;2-11,13,25,31H,12H2,1H3;2-10,12-14,23,32H,11H2,1H3;5-9,11-13,23,29H,10H2,1-4H3;4-9,11-12,22,29H,10H2,1-3H3;3-11,20,27H,1-2H3.

What are the key properties of 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 2624.33 g/mol, XLogP of 30.25, 29 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-chloro-6-[(4-cyanophenyl)-hydroxymethyl]-2-methoxyquinolin-3-yl]methyl]benzonitrile;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(3-methylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 158475942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).