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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol

C165H152Cl12F2N20O13S — CID 158967503

About 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol

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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol (PubChem CID 158967503) has the molecular formula C165H152Cl12F2N20O13S and a molecular weight of 3118.66 g/mol. Its IUPAC name is 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol.

Molecular Properties

• Compound Name: 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol
• PubChem CID: 158967503
• Molecular Formula: C165H152Cl12F2N20O13S
• Molecular Weight: 3118.66 g/mol
• Exact Mass: 3110.78
• IUPAC Name: 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol
• SMILES: CC(C)C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.CCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CC1
• InChI: InChI=1S/C25H26ClN3O4S.C24H23Cl2N3O.C24H22Cl2N2O2.C24H23ClF2N4O2.C23H19Cl2N3O.C23H21Cl2N3O.C22H18Cl2N2O2/c1-5-25(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;1-3-4-12-24(29,20-13-15(2)28-30-20)17-10-11-19-18(14-17)22(25)21(23(26)27-19)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;1-28-13-26-12-19(28)23(29,15-7-8-15)16-9-10-18-17(11-16)21(24)20(22(25)27-18)14-5-3-2-4-6-14;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;1-3-22(27,18-11-13(2)26-28-18)15-9-10-17-16(12-15)20(23)19(21(24)25-17)14-7-5-4-6-8-14/h6-11,13-15,30H,5,12H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-11,13-14,29H,3-4,12H2,1-2H3;5-10,12-13,32H,11H2,1-4H3;2-6,9-13,15,29H,7-8H2,1H3;4-14,29H,1-3H3;4-12,27H,3H2,1-2H3
• InChIKey: JNJUSGNMSDHVGB-UHFFFAOYSA-N
• XLogP: 40.13
• TPSA: 438.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3118.66
LogP ≤ 5	40.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

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-(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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol?

The IUPAC name of 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol (CID 158967503) is 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-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-(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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol?

The canonical SMILES for 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol is CC(C)C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.CCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1.CCC(O)(c1ccc2nc(OC)c(Cc3ccc(S(C)(=O)=O)cc3)c(Cl)c2c1)c1cncn1C.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cc(C)no1.CCCCC(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1cncn1C.COc1nc2ccc(C(C)(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CC1.

What is the InChIKey of 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol?

The InChIKey is JNJUSGNMSDHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S.C24H23Cl2N3O.C24H22Cl2N2O2.C24H23ClF2N4O2.C23H19Cl2N3O.C23H21Cl2N3O.C22H18Cl2N2O2/c1-5-25(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;1-3-4-12-24(29,20-13-15(2)28-30-20)17-10-11-19-18(14-17)22(25)21(23(26)27-19)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;1-28-13-26-12-19(28)23(29,15-7-8-15)16-9-10-18-17(11-16)21(24)20(22(25)27-18)14-5-3-2-4-6-14;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;1-3-22(27,18-11-13(2)26-28-18)15-9-10-17-16(12-15)20(23)19(21(24)25-17)14-7-5-4-6-8-14/h6-11,13-15,30H,5,12H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-11,13-14,29H,3-4,12H2,1-2H3;5-10,12-13,32H,11H2,1-4H3;2-6,9-13,15,29H,7-8H2,1H3;4-14,29H,1-3H3;4-12,27H,3H2,1-2H3.

What are the key properties of 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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol?

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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol has a molecular weight of 3118.66 g/mol, XLogP of 40.13, 37 rotatable bonds, 7 hydrogen bond donors, and 33 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-(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;cyclopropyl-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;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-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)pentan-1-ol;1-(2,4-dichloro-3-phenylquinolin-6-yl)-1-(3-methyl-1,2-oxazol-5-yl)propan-1-ol is sourced from PubChem (CID 158967503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).