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-methylimidazol-4-yl)ethanol;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

C167H152Cl12F4N18O12 — CID 157325860

About 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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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 157325860) has the molecular formula C167H152Cl12F4N18O12 and a molecular weight of 3104.59 g/mol. Its IUPAC name is 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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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: 157325860
• Molecular Formula: C167H152Cl12F4N18O12
• Molecular Weight: 3104.59 g/mol
• Exact Mass: 3096.80
• IUPAC Name: 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-methylimidazol-4-yl)ethanol;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.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)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3oc(C)nc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)C1CC1
• InChI: InChI=1S/C26H25ClF2N2O3.C25H24ClF2N3O2.C24H23Cl2N3O.C24H22Cl2N2O2.C23H19Cl2N3O.C23H21Cl2N3O.C22H18Cl2N2O2/c1-14-23(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;1-24(32,21-13-29-14-31(21)3)17-9-10-20-18(12-17)22(26)19(23(30-20)33-4)11-15-5-7-16(8-6-15)25(2,27)28;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;1-28-13-26-12-19(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/h6-11,13,32H,12H2,1-5H3;5-10,12-14,32H,11H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-11,13-14,29H,3-4,12H2,1-2H3;2-6,9-13,15,29H,7-8H2,1H3;4-14,29H,1-3H3;4-12,27H,3H2,1-2H3
• InChIKey: BESCQZMASJFOND-UHFFFAOYSA-N
• XLogP: 42.92
• TPSA: 399.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 36
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3104.59
LogP ≤ 5	42.92
H-Bond Donors ≤ 5	7
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 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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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 157325860) is 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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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.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)c3cncn3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.COc1nc2ccc(C(C)(O)c3oc(C)nc3C)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-(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-methylimidazol-4-yl)ethanol;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 BESCQZMASJFOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N2O3.C25H24ClF2N3O2.C24H23Cl2N3O.C24H22Cl2N2O2.C23H19Cl2N3O.C23H21Cl2N3O.C22H18Cl2N2O2/c1-14-23(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;1-24(32,21-13-29-14-31(21)3)17-9-10-20-18(12-17)22(26)19(23(30-20)33-4)11-15-5-7-16(8-6-15)25(2,27)28;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;1-28-13-26-12-19(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/h6-11,13,32H,12H2,1-5H3;5-10,12-14,32H,11H2,1-4H3;5-11,13-15,30H,3-4,12H2,1-2H3;5-11,13-14,29H,3-4,12H2,1-2H3;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-(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-methylimidazol-4-yl)ethanol;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-(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-methylimidazol-4-yl)ethanol;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 3104.59 g/mol, XLogP of 42.92, 36 rotatable bonds, 7 hydrogen bond donors, and 30 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-(2,4-dimethyl-1,3-oxazol-5-yl)ethanol;1-[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-1-(3-methylimidazol-4-yl)ethanol;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 157325860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).