[4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C125H121Cl6F11N26O10 — CID 158097933

About [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 158097933) has the molecular formula C125H121Cl6F11N26O10 and a molecular weight of 2569.21 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 158097933
• Molecular Formula: C125H121Cl6F11N26O10
• Molecular Weight: 2569.21 g/mol
• Exact Mass: 2564.77
• IUPAC Name: [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: CCc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1N1CCC1.CCc1c(Cl)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C(=O)N1CCC(C(C)(F)F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F
• InChI: InChI=1S/C29H27ClF5N5O3.C26H27ClN6O3.C25H23ClF3N5O.C23H23ClF3N5O2.C22H21Cl2N5O/c1-27(31,32)16-8-10-40(11-9-16)26(41)23-24(30)19-12-17(4-6-20(19)38-25(23)43-3)28(42,22-14-36-15-39(22)2)18-5-7-21(37-13-18)29(33,34)35;1-14-5-9-19(15(2)30-14)26(35,21-13-29-32-33(21)3)17-8-10-20-18(11-17)23(27)22(25(31-20)36-4)24(34)28-12-16-6-7-16;1-3-17-22(34-9-4-10-34)18-11-15(5-7-19(18)32-23(17)26)24(35,21-13-30-14-33(21)2)16-6-8-20(31-12-16)25(27,28)29;1-12-28-10-18(31(12)3)23(33,19-11-29-13(2)32(19)4)14-6-7-17-15(8-14)20(24)16(9-22(25,26)27)21(30-17)34-5;1-5-15-20(23)16-10-14(7-9-18(16)27-21(15)24)22(30,19-11-25-28-29(19)4)17-8-6-12(2)26-13(17)3/h4-7,12-16,42H,8-11H2,1-3H3;5,8-11,13,16,35H,6-7,12H2,1-4H3,(H,28,34);5-8,11-14,35H,3-4,9-10H2,1-2H3;6-8,10-11,33H,9H2,1-5H3;6-11,30H,5H2,1-4H3
• InChIKey: FOWWEMLIHZTAEX-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 430.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2569.21
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 158097933) is [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is CCc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1N1CCC1.CCc1c(Cl)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1C(=O)N1CCC(C(C)(F)F)CC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC1CC1.COc1nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c(Cl)c1CC(F)(F)F.

What is the InChIKey of [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is FOWWEMLIHZTAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF5N5O3.C26H27ClN6O3.C25H23ClF3N5O.C23H23ClF3N5O2.C22H21Cl2N5O/c1-27(31,32)16-8-10-40(11-9-16)26(41)23-24(30)19-12-17(4-6-20(19)38-25(23)43-3)28(42,22-14-36-15-39(22)2)18-5-7-21(37-13-18)29(33,34)35;1-14-5-9-19(15(2)30-14)26(35,21-13-29-32-33(21)3)17-8-10-20-18(11-17)23(27)22(25(31-20)36-4)24(34)28-12-16-6-7-16;1-3-17-22(34-9-4-10-34)18-11-15(5-7-19(18)32-23(17)26)24(35,21-13-30-14-33(21)2)16-6-8-20(31-12-16)25(27,28)29;1-12-28-10-18(31(12)3)23(33,19-11-29-13(2)32(19)4)14-6-7-17-15(8-14)20(24)16(9-22(25,26)27)21(30-17)34-5;1-5-15-20(23)16-10-14(7-9-18(16)27-21(15)24)22(30,19-11-25-28-29(19)4)17-8-6-12(2)26-13(17)3/h4-7,12-16,42H,8-11H2,1-3H3;5,8-11,13,16,35H,6-7,12H2,1-4H3,(H,28,34);5-8,11-14,35H,3-4,9-10H2,1-2H3;6-8,10-11,33H,9H2,1-5H3;6-11,30H,5H2,1-4H3.

What are the key properties of [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 2569.21 g/mol, XLogP of 23.29, 27 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(azetidin-1-yl)-2-chloro-3-ethylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;4-chloro-N-(cyclopropylmethyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methoxyquinolin-3-yl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[4-chloro-2-methoxy-3-(2,2,2-trifluoroethyl)quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 158097933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).