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

C147H110Cl6F9N21O7 — CID 158463954

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

6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 158463954) has the molecular formula C147H110Cl6F9N21O7 and a molecular weight of 2666.34 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
• PubChem CID: 158463954
• Molecular Formula: C147H110Cl6F9N21O7
• Molecular Weight: 2666.34 g/mol
• Exact Mass: 2661.69
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.Cc1cc(C(O)(c2ccc(Cl)cc2)c2cncn2C)cc2c(C#N)c(-c3ccccc3)c(C#N)nc12.Cc1cc(C(O)(c2ccc(Cl)cc2)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1
• InChI: InChI=1S/C32H26F3N5O2.C30H26Cl2F3N3O2.C29H20ClN5O.C29H18F3N5O.C27H20Cl3N3O/c1-19-14-24(15-25-26(16-36)29(21-6-4-3-5-7-21)27(17-37)39-30(19)25)31(42,22-10-12-40(13-11-22)20(2)41)23-8-9-28(38-18-23)32(33,34)35;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;1-18-12-21(29(36,26-16-33-17-35(26)2)20-8-10-22(30)11-9-20)13-23-24(14-31)27(19-6-4-3-5-7-19)25(15-32)34-28(18)23;1-37-17-35-16-25(37)28(38,20-9-7-18(14-33)8-10-20)21-11-12-24-22(13-21)23(15-34)26(19-5-3-2-4-6-19)27(36-24)29(30,31)32;1-16-12-19(27(34,22-14-31-15-33(22)2)18-8-10-20(28)11-9-18)13-21-24(29)23(26(30)32-25(16)21)17-6-4-3-5-7-17/h3-9,14-15,18,22,42H,10-13H2,1-2H3;3-9,14-16,20,40H,10-13H2,1-2H3;3-13,16-17,36H,1-2H3;2-13,16-17,38H,1H3;3-15,34H,1-2H3
• InChIKey: HFNCDDGYGIZYOF-UHFFFAOYSA-N
• XLogP: 31.78
• TPSA: 428.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2666.34
LogP ≤ 5	31.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

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

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 158463954) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(C#N)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2ccc(C(F)(F)F)nc2)c2cc(C)c3nc(Cl)c(-c4ccccc4)c(Cl)c3c2)CC1.Cc1cc(C(O)(c2ccc(Cl)cc2)c2cncn2C)cc2c(C#N)c(-c3ccccc3)c(C#N)nc12.Cc1cc(C(O)(c2ccc(Cl)cc2)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12.Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1.

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

The InChIKey is HFNCDDGYGIZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O2.C30H26Cl2F3N3O2.C29H20ClN5O.C29H18F3N5O.C27H20Cl3N3O/c1-19-14-24(15-25-26(16-36)29(21-6-4-3-5-7-21)27(17-37)39-30(19)25)31(42,22-10-12-40(13-11-22)20(2)41)23-8-9-28(38-18-23)32(33,34)35;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;1-18-12-21(29(36,26-16-33-17-35(26)2)20-8-10-22(30)11-9-20)13-23-24(14-31)27(19-6-4-3-5-7-19)25(15-32)34-28(18)23;1-37-17-35-16-25(37)28(38,20-9-7-18(14-33)8-10-20)21-11-12-24-22(13-21)23(15-34)26(19-5-3-2-4-6-19)27(36-24)29(30,31)32;1-16-12-19(27(34,22-14-31-15-33(22)2)18-8-10-20(28)11-9-18)13-21-24(29)23(26(30)32-25(16)21)17-6-4-3-5-7-17/h3-9,14-15,18,22,42H,10-13H2,1-2H3;3-9,14-16,20,40H,10-13H2,1-2H3;3-13,16-17,36H,1-2H3;2-13,16-17,38H,1H3;3-15,34H,1-2H3.

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

6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 2666.34 g/mol, XLogP of 31.78, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;(4-chlorophenyl)-(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-8-methyl-3-phenylquinoline-2,4-dicarbonitrile;6-[(4-cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158463954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).