1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol

C148H144Cl8F6N18O13S — CID 159173676

About 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol

1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol (PubChem CID 159173676) has the molecular formula C148H144Cl8F6N18O13S and a molecular weight of 2812.57 g/mol. Its IUPAC name is 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol
• PubChem CID: 159173676
• Molecular Formula: C148H144Cl8F6N18O13S
• Molecular Weight: 2812.57 g/mol
• Exact Mass: 2806.83
• IUPAC Name: 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol
• SMILES: CC(C)C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3oc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C26H26ClF2N3O2.C26H25ClF2N2O3.C25H26ClN3O4S.C24H23Cl2N3O.C24H23ClF2N4O2.C23H21Cl2N3O/c1-15-30-14-22(32(15)4)25(2,33)18-10-11-21-19(13-18)23(27)20(24(31-21)34-5)12-16-6-8-17(9-7-16)26(3,28)29;1-14-23(34-15(2)30-14)25(3,32)18-10-11-21-19(13-18)22(27)20(24(31-21)33-5)12-16-6-8-17(9-7-16)26(4,28)29;1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32;1-3-4-12-24(30,20-14-27-15-29(20)2)17-10-11-19-18(13-17)22(25)21(23(26)28-19)16-8-6-5-7-9-16;1-23(32,20-13-28-30-31(20)3)16-9-10-19-17(12-16)21(25)18(22(29-19)33-4)11-14-5-7-15(8-6-14)24(2,26)27;1-14(2)23(29,19-12-26-13-28(19)3)16-9-10-18-17(11-16)21(24)20(22(25)27-18)15-7-5-4-6-8-15/h6-11,13-14,33H,12H2,1-5H3;6-11,13,32H,12H2,1-5H3;6-11,13-15,30H,5,12H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-10,12-13,32H,11H2,1-4H3;4-14,29H,1-3H3
• InChIKey: KLZVOANWYHFDGZ-UHFFFAOYSA-N
• XLogP: 33.81
• TPSA: 397.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2812.57
LogP ≤ 5	33.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol?

The IUPAC name of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol (CID 159173676) is 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol.

What is the SMILES notation for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol?

The canonical SMILES for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol is CC(C)C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3oc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol?

The InChIKey is KLZVOANWYHFDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N3O2.C26H25ClF2N2O3.C25H26ClN3O4S.C24H23Cl2N3O.C24H23ClF2N4O2.C23H21Cl2N3O/c1-15-30-14-22(32(15)4)25(2,33)18-10-11-21-19(13-18)23(27)20(24(31-21)34-5)12-16-6-8-17(9-7-16)26(3,28)29;1-14-23(34-15(2)30-14)25(3,32)18-10-11-21-19(13-18)22(27)20(24(31-21)33-5)12-16-6-8-17(9-7-16)26(4,28)29;1-5-25(30,22-14-27-15-29(22)2)17-8-11-21-19(13-17)23(26)20(24(28-21)33-3)12-16-6-9-18(10-7-16)34(4,31)32;1-3-4-12-24(30,20-14-27-15-29(20)2)17-10-11-19-18(13-17)22(25)21(23(26)28-19)16-8-6-5-7-9-16;1-23(32,20-13-28-30-31(20)3)16-9-10-19-17(12-16)21(25)18(22(29-19)33-4)11-14-5-7-15(8-6-14)24(2,26)27;1-14(2)23(29,19-12-26-13-28(19)3)16-9-10-18-17(11-16)21(24)20(22(25)27-18)15-7-5-4-6-8-15/h6-11,13-14,33H,12H2,1-5H3;6-11,13,32H,12H2,1-5H3;6-11,13-15,30H,5,12H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-10,12-13,32H,11H2,1-4H3;4-14,29H,1-3H3.

What are the key properties of 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol?

1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol has a molecular weight of 2812.57 g/mol, XLogP of 33.81, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,3-dimethylimidazol-4-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methyltriazol-4-yl)ethanol;1-[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-1-(3-methylimidazol-4-yl)propan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methylimidazol-4-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-2-methyl-1-(3-methylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 159173676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).