1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile

C124H103Cl4F9N18O9 — CID 159996931

About 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile

1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile (PubChem CID 159996931) has the molecular formula C124H103Cl4F9N18O9 and a molecular weight of 2302.10 g/mol. Its IUPAC name is 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
• PubChem CID: 159996931
• Molecular Formula: C124H103Cl4F9N18O9
• Molecular Weight: 2302.10 g/mol
• Exact Mass: 2298.68
• IUPAC Name: 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile
• SMILES: C#Cc1nc2c(C)cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.CC(=O)N1CCC(C(O)(c2ccc(F)cc2)c2ccc3nc(OC(F)F)c(Cc4cccnc4)c(Cl)c3c2)CC1.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC1=Cc2ccccc2C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C34H25ClN6O.C31H24ClF3N4O2.C30H27ClF3N3O3.C29H27ClF3N5O3/c1-4-31-28(17-23-6-12-27(13-7-23)41-15-5-14-38-41)30(19-36)29-18-25(16-22(2)33(29)39-31)34(42,32-20-37-21-40(32)3)24-8-10-26(35)11-9-24;1-39-17-36-16-27(39)30(40,22-8-10-26(37-15-22)31(33,34)35)21-7-9-25-23(14-21)28(32)24(29(38-25)41-2)13-18-11-19-5-3-4-6-20(19)12-18;1-18(38)37-13-10-21(11-14-37)30(39,20-4-7-23(32)8-5-20)22-6-9-26-24(16-22)27(31)25(28(36-26)40-29(33)34)15-19-3-2-12-35-17-19;1-16-34-14-24(37(16)3)28(39,25-15-35-17(2)38(25)4)19-8-11-23-21(13-19)26(30)22(27(36-23)40-5)12-18-6-9-20(10-7-18)41-29(31,32)33/h1,5-16,18,20-21,42H,17H2,2-3H3;3-11,14-17,40H,12-13H2,1-2H3;2-9,12,16-17,21,29,39H,10-11,13-15H2,1H3;6-11,13-15,39H,12H2,1-5H3
• InChIKey: OHQQXHXCEGUOOO-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 328.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.10
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?

The IUPAC name of 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile (CID 159996931) is 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile.

What is the SMILES notation for 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?

The canonical SMILES for 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile is C#Cc1nc2c(C)cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(C#N)c1Cc1ccc(-n2cccn2)cc1.CC(=O)N1CCC(C(O)(c2ccc(F)cc2)c2ccc3nc(OC(F)F)c(Cc4cccnc4)c(Cl)c3c2)CC1.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1CC1=Cc2ccccc2C1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?

The InChIKey is OHQQXHXCEGUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClN6O.C31H24ClF3N4O2.C30H27ClF3N3O3.C29H27ClF3N5O3/c1-4-31-28(17-23-6-12-27(13-7-23)41-15-5-14-38-41)30(19-36)29-18-25(16-22(2)33(29)39-31)34(42,32-20-37-21-40(32)3)24-8-10-26(35)11-9-24;1-39-17-36-16-27(39)30(40,22-8-10-26(37-15-22)31(33,34)35)21-7-9-25-23(14-21)28(32)24(29(38-25)41-2)13-18-11-19-5-3-4-6-20(19)12-18;1-18(38)37-13-10-21(11-14-37)30(39,20-4-7-23(32)8-5-20)22-6-9-26-24(16-22)27(31)25(28(36-26)40-29(33)34)15-19-3-2-12-35-17-19;1-16-34-14-24(37(16)3)28(39,25-15-35-17(2)38(25)4)19-8-11-23-21(13-19)26(30)22(27(36-23)40-5)12-18-6-9-20(10-7-18)41-29(31,32)33/h1,5-16,18,20-21,42H,17H2,2-3H3;3-11,14-17,40H,12-13H2,1-2H3;2-9,12,16-17,21,29,39H,10-11,13-15H2,1H3;6-11,13-15,39H,12H2,1-5H3.

What are the key properties of 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile?

1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile has a molecular weight of 2302.10 g/mol, XLogP of 24.22, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-chloro-2-(difluoromethoxy)-3-(pyridin-3-ylmethyl)quinolin-6-yl]-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone;[4-chloro-3-(1H-inden-2-ylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-methoxy-3-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-ethynyl-8-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]quinoline-4-carbonitrile is sourced from PubChem (CID 159996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).