6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile

C148H120Cl6F9N19O8 — CID 157229788

About 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile

6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile (PubChem CID 157229788) has the molecular formula C148H120Cl6F9N19O8 and a molecular weight of 2676.41 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile
• PubChem CID: 157229788
• Molecular Formula: C148H120Cl6F9N19O8
• Molecular Weight: 2676.41 g/mol
• Exact Mass: 2671.76
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile
• SMILES: CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccccc2)c2cc(C)c3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccccc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(-c3ccccc3)c(C#N)nc12.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12
• InChI: InChI=1S/C32H28N4O2.C30H26Cl2F3N3O2.C30H28Cl2N2O2.C29H19F3N6O.C27H19Cl2F3N4O/c1-21-17-26(32(38,24-11-7-4-8-12-24)25-13-15-36(16-14-25)22(2)37)18-27-28(19-33)30(23-9-5-3-6-10-23)29(20-34)35-31(21)27;1-17-14-22(15-23-26(31)25(28(32)37-27(17)23)19-6-4-3-5-7-19)29(40,20-10-12-38(13-11-20)18(2)39)21-8-9-24(36-16-21)30(33,34)35;1-19-17-24(18-25-27(31)26(29(32)33-28(19)25)21-9-5-3-6-10-21)30(36,22-11-7-4-8-12-22)23-13-15-34(16-14-23)20(2)35;1-17-10-20(11-21-22(12-33)26(18-6-4-3-5-7-18)23(13-34)37-27(17)21)28(39,25-15-35-16-38(25)2)19-8-9-24(36-14-19)29(30,31)32;1-15-10-18(11-19-23(28)22(25(29)35-24(15)19)16-6-4-3-5-7-16)26(37,21-13-33-14-36(21)2)17-8-9-20(34-12-17)27(30,31)32/h3-12,17-18,25,38H,13-16H2,1-2H3;3-9,14-16,20,40H,10-13H2,1-2H3;3-12,17-18,23,36H,13-16H2,1-2H3;3-11,14-16,39H,1-2H3;3-14,37H,1-2H3
• InChIKey: ATYUCTBFHFHHSN-UHFFFAOYSA-N
• XLogP: 32.22
• TPSA: 396.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2676.41
LogP ≤ 5	32.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile (CID 157229788) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile is CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccccc2)c2cc(C)c3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccccc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(C#N)c(-c3ccccc3)c(C#N)nc12.Cc1cc(C(O)(c2ccc(C(F)(F)F)nc2)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile?

The InChIKey is ATYUCTBFHFHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2.C30H26Cl2F3N3O2.C30H28Cl2N2O2.C29H19F3N6O.C27H19Cl2F3N4O/c1-21-17-26(32(38,24-11-7-4-8-12-24)25-13-15-36(16-14-25)22(2)37)18-27-28(19-33)30(23-9-5-3-6-10-23)29(20-34)35-31(21)27;1-17-14-22(15-23-26(31)25(28(32)37-27(17)23)19-6-4-3-5-7-19)29(40,20-10-12-38(13-11-20)18(2)39)21-8-9-24(36-16-21)30(33,34)35;1-19-17-24(18-25-27(31)26(29(32)33-28(19)25)21-9-5-3-6-10-21)30(36,22-11-7-4-8-12-22)23-13-15-34(16-14-23)20(2)35;1-17-10-20(11-21-22(12-33)26(18-6-4-3-5-7-18)23(13-34)37-27(17)21)28(39,25-15-35-16-38(25)2)19-8-9-24(36-14-19)29(30,31)32;1-15-10-18(11-19-23(28)22(25(29)35-24(15)19)16-6-4-3-5-7-16)26(37,21-13-33-14-36(21)2)17-8-9-20(34-12-17)27(30,31)32/h3-12,17-18,25,38H,13-16H2,1-2H3;3-9,14-16,20,40H,10-13H2,1-2H3;3-12,17-18,23,36H,13-16H2,1-2H3;3-11,14-16,39H,1-2H3;3-14,37H,1-2H3.

What are the key properties of 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile?

6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile has a molecular weight of 2676.41 g/mol, XLogP of 32.22, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-phenylmethyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile is sourced from PubChem (CID 157229788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).