[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol

C150H129Cl8F8N19O8 — CID 158772689

About [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol

[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol (PubChem CID 158772689) has the molecular formula C150H129Cl8F8N19O8 and a molecular weight of 2761.41 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol.

Molecular Properties

• Compound Name: [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol
• PubChem CID: 158772689
• Molecular Formula: C150H129Cl8F8N19O8
• Molecular Weight: 2761.41 g/mol
• Exact Mass: 2755.77
• IUPAC Name: [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol
• SMILES: COc1nc2ccc(C(O)c3c(C)noc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)c(C)n1.Cc1ncc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)n1C.Cc1ncc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)n1C.OC(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccncc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
• InChI: InChI=1S/C28H25ClF3N3O.C28H27ClN6O.C26H24ClF3N4O.C25H23ClF2N2O3.C22H16Cl2N2O.C21H14Cl2N2O/c1-16-4-10-21(17(2)33-16)26(36)19-7-11-24-22(15-19)25(29)23(27(34-24)35-12-3-13-35)14-18-5-8-20(9-6-18)28(30,31)32;1-18-30-17-25(33(18)2)27(36)20-7-10-24-22(16-20)26(29)23(28(32-24)34-12-4-13-34)15-19-5-8-21(9-6-19)35-14-3-11-31-35;1-15-31-14-22(33(15)2)24(35)17-6-9-21-19(13-17)23(27)20(25(32-21)34-10-3-11-34)12-16-4-7-18(8-5-16)26(28,29)30;1-13-21(14(2)33-30-13)23(31)16-7-10-20-18(12-16)22(26)19(24(29-20)32-4)11-15-5-8-17(9-6-15)25(3,27)28;23-20-17-13-16(21(27)15-8-10-25-11-9-15)6-7-19(17)26-22(24)18(20)12-14-4-2-1-3-5-14;22-19-16-12-15(20(26)14-8-10-24-11-9-14)6-7-17(16)25-21(23)18(19)13-4-2-1-3-5-13/h4-11,15,26,36H,3,12-14H2,1-2H3;3,5-11,14,16-17,27,36H,4,12-13,15H2,1-2H3;4-9,13-14,24,35H,3,10-12H2,1-2H3;5-10,12,23,31H,11H2,1-4H3;1-11,13,21,27H,12H2;1-12,20,26H
• InChIKey: IQBNAYAJILZZEU-UHFFFAOYSA-N
• XLogP: 35.21
• TPSA: 335.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2761.41
LogP ≤ 5	35.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol?

The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol (CID 158772689) is [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol.

What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol?

The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol is COc1nc2ccc(C(O)c3c(C)noc3C)cc2c(Cl)c1Cc1ccc(C(C)(F)F)cc1.Cc1ccc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)c(C)n1.Cc1ncc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(-n5cccn5)cc4)c(Cl)c3c2)n1C.Cc1ncc(C(O)c2ccc3nc(N4CCC4)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)n1C.OC(c1ccncc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.OC(c1ccncc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1.

What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol?

The InChIKey is IQBNAYAJILZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N3O.C28H27ClN6O.C26H24ClF3N4O.C25H23ClF2N2O3.C22H16Cl2N2O.C21H14Cl2N2O/c1-16-4-10-21(17(2)33-16)26(36)19-7-11-24-22(15-19)25(29)23(27(34-24)35-12-3-13-35)14-18-5-8-20(9-6-18)28(30,31)32;1-18-30-17-25(33(18)2)27(36)20-7-10-24-22(16-20)26(29)23(28(32-24)34-12-4-13-34)15-19-5-8-21(9-6-19)35-14-3-11-31-35;1-15-31-14-22(33(15)2)24(35)17-6-9-21-19(13-17)23(27)20(25(32-21)34-10-3-11-34)12-16-4-7-18(8-5-16)26(28,29)30;1-13-21(14(2)33-30-13)23(31)16-7-10-20-18(12-16)22(26)19(24(29-20)32-4)11-15-5-8-17(9-6-15)25(3,27)28;23-20-17-13-16(21(27)15-8-10-25-11-9-15)6-7-19(17)26-22(24)18(20)12-14-4-2-1-3-5-14;22-19-16-12-15(20(26)14-8-10-24-11-9-14)6-7-17(16)25-21(23)18(19)13-4-2-1-3-5-13/h4-11,15,26,36H,3,12-14H2,1-2H3;3,5-11,14,16-17,27,36H,4,12-13,15H2,1-2H3;4-9,13-14,24,35H,3,10-12H2,1-2H3;5-10,12,23,31H,11H2,1-4H3;1-11,13,21,27H,12H2;1-12,20,26H.

What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol?

[2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol has a molecular weight of 2761.41 g/mol, XLogP of 35.21, 29 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidin-1-yl)-4-chloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[2-(azetidin-1-yl)-4-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(3-benzyl-2,4-dichloroquinolin-6-yl)-pyridin-4-ylmethanol;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-pyridin-4-ylmethanol is sourced from PubChem (CID 158772689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).