6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone

C₁₃₇H₁₁₂Cl₄F₉N₂₁O₉S₂ — CID 158844439

About 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone

6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone (PubChem CID 158844439) has the molecular formula C₁₃₇H₁₁₂Cl₄F₉N₂₁O₉S₂ and a molecular weight of 2573.47 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone
• PubChem CID: 158844439
• Molecular Formula: C₁₃₇H₁₁₂Cl₄F₉N₂₁O₉S₂
• Molecular Weight: 2573.47 g/mol
• Exact Mass: 2569.70
• IUPAC Name: 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)CC1.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1
• InChI: InChI=1S/C30H25F3N4O2.C29H25ClF3N3O2.C28H18ClF3N4O.2C25H22ClN5O2S/c1-19(38)37-14-11-21(12-15-37)29(39,23-8-5-13-35-18-23)22-9-10-26-24(16-22)25(17-34)27(20-6-3-2-4-7-20)28(36-26)30(31,32)33;1-18(37)36-14-11-20(12-15-36)28(38,22-8-5-13-34-17-22)21-9-10-24-23(16-21)26(30)25(19-6-3-2-4-7-19)27(35-24)29(31,32)33;1-36-16-34-15-24(36)27(37,18-7-10-20(29)11-8-18)19-9-12-23-21(13-19)22(14-33)25(17-5-3-2-4-6-17)26(35-23)28(30,31)32;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(33-4)21(24(26)29-19)16-8-6-5-7-9-16;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(26)21(24(29-19)33-4)16-8-6-5-7-9-16/h2-10,13,16,18,21,39H,11-12,14-15H2,1H3;2-10,13,16-17,20,38H,11-12,14-15H2,1H3;2-13,15-16,37H,1H3;2*5-13,32H,1-4H3
• InChIKey: IYQJAIJJSJYHCW-UHFFFAOYSA-N
• XLogP: 28.71
• TPSA: 403.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.47
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

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-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone?

The IUPAC name of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone (CID 158844439) is 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone?

The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(C#N)c3c2)CC1.CC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)CC1.COc1c(-c2ccccc2)c(Cl)nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc12.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1-c1ccccc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C#N)c2c1.

What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone?

The InChIKey is IYQJAIJJSJYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O2.C29H25ClF3N3O2.C28H18ClF3N4O.2C25H22ClN5O2S/c1-19(38)37-14-11-21(12-15-37)29(39,23-8-5-13-35-18-23)22-9-10-26-24(16-22)25(17-34)27(20-6-3-2-4-7-20)28(36-26)30(31,32)33;1-18(37)36-14-11-20(12-15-36)28(38,22-8-5-13-34-17-22)21-9-10-24-23(16-21)26(30)25(19-6-3-2-4-7-19)27(35-24)29(31,32)33;1-36-16-34-15-24(36)27(37,18-7-10-20(29)11-8-18)19-9-12-23-21(13-19)22(14-33)25(17-5-3-2-4-6-17)26(35-23)28(30,31)32;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(33-4)21(24(26)29-19)16-8-6-5-7-9-16;1-14-23(34-15(2)28-14)25(32,20-13-27-30-31(20)3)17-10-11-19-18(12-17)22(26)21(24(29-19)33-4)16-8-6-5-7-9-16/h2-10,13,16,18,21,39H,11-12,14-15H2,1H3;2-10,13,16-17,20,38H,11-12,14-15H2,1H3;2-13,15-16,37H,1H3;2*5-13,32H,1-4H3.

What are the key properties of 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone?

6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone has a molecular weight of 2573.47 g/mol, XLogP of 28.71, 22 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-acetylpiperidin-4-yl)-hydroxy-pyridin-3-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;(2-chloro-4-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-phenyl-2-(trifluoromethyl)quinoline-4-carbonitrile;1-[4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158844439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158844439 — identifiers, structure, computed properties (public domain)

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