1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol

C148H151Cl7F2N26O18 — CID 159632010

About 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol

1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 159632010) has the molecular formula C148H151Cl7F2N26O18 and a molecular weight of 2868.17 g/mol. Its IUPAC name is 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
• PubChem CID: 159632010
• Molecular Formula: C148H151Cl7F2N26O18
• Molecular Weight: 2868.17 g/mol
• Exact Mass: 2862.95
• IUPAC Name: 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
• SMILES: CCOc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1OCC1CC1.COc1nc2c(C)cc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(Cl)c3c2)c2cncn2C)cc1
• InChI: InChI=1S/C26H30ClF2N5O3.C26H23ClN4O3.C25H23Cl2N3O3.C24H28ClN5O3.C24H21ClN4O3.C23H26ClN5O3/c1-13-9-17(10-18-21(27)23(37-12-25(5,28)29)24(36-8)31-22(13)18)26(35,19-11-30-16(4)33(19)6)20-14(2)32-34(7)15(20)3;1-28-19-9-6-17(7-10-19)26(32,22-13-29-15-31(22)2)18-8-11-21-20(12-18)23(27)24(25(30-21)33-3)34-14-16-4-5-16;1-30-14-28-12-21(30)25(31,16-5-8-18(26)9-6-16)17-7-10-20-19(11-17)22(27)23(24(29-20)32-2)33-13-15-3-4-15;1-4-19-23(33-13-15-5-6-15)22(25)18-9-16(7-8-20(18)27-19)24(32,21-10-26-28-29(21)3)17-11-30(12-17)14(2)31;1-5-32-22-21(25)18-12-16(8-11-19(18)28-23(22)31-4)24(30,20-13-27-14-29(20)3)15-6-9-17(26-2)10-7-15;1-7-32-21-20(24)16-10-15(8-9-17(16)27-22(21)31-6)23(30,18-11-25-13(2)28(18)4)19-12-26-14(3)29(19)5/h9-11,35H,12H2,1-8H3;6-13,15-16,32H,4-5,14H2,2-3H3;5-12,14-15,31H,3-4,13H2,1-2H3;7-10,15,17,32H,4-6,11-13H2,1-3H3;6-14,30H,5H2,1,3-4H3;8-12,30H,7H2,1-6H3
• InChIKey: MPFZUKNUCFMSAX-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 484.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2868.17
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?

The IUPAC name of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol (CID 159632010) is 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol is CCOc1c(OC)nc2ccc(C(O)(c3cnc(C)n3C)c3cnc(C)n3C)cc2c1Cl.CCc1nc2ccc(C(O)(c3cnnn3C)C3CN(C(C)=O)C3)cc2c(Cl)c1OCC1CC1.COc1nc2c(C)cc(C(O)(c3c(C)nn(C)c3C)c3cnc(C)n3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC1CC1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC)c(Cl)c3c2)c2cncn2C)cc1.[C-]#[N+]c1ccc(C(O)(c2ccc3nc(OC)c(OCC4CC4)c(Cl)c3c2)c2cncn2C)cc1.

What is the InChIKey of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?

The InChIKey is MPFZUKNUCFMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClF2N5O3.C26H23ClN4O3.C25H23Cl2N3O3.C24H28ClN5O3.C24H21ClN4O3.C23H26ClN5O3/c1-13-9-17(10-18-21(27)23(37-12-25(5,28)29)24(36-8)31-22(13)18)26(35,19-11-30-16(4)33(19)6)20-14(2)32-34(7)15(20)3;1-28-19-9-6-17(7-10-19)26(32,22-13-29-15-31(22)2)18-8-11-21-20(12-18)23(27)24(25(30-21)33-3)34-14-16-4-5-16;1-30-14-28-12-21(30)25(31,16-5-8-18(26)9-6-16)17-7-10-20-19(11-17)22(27)23(24(29-20)32-2)33-13-15-3-4-15;1-4-19-23(33-13-15-5-6-15)22(25)18-9-16(7-8-20(18)27-19)24(32,21-10-26-28-29(21)3)17-11-30(12-17)14(2)31;1-5-32-22-21(25)18-12-16(8-11-19(18)28-23(22)31-4)24(30,20-13-27-14-29(20)3)15-6-9-17(26-2)10-7-15;1-7-32-21-20(24)16-10-15(8-9-17(16)27-22(21)31-6)23(30,18-11-25-13(2)28(18)4)19-12-26-14(3)29(19)5/h9-11,35H,12H2,1-8H3;6-13,15-16,32H,4-5,14H2,2-3H3;5-12,14-15,31H,3-4,13H2,1-2H3;7-10,15,17,32H,4-6,11-13H2,1-3H3;6-14,30H,5H2,1,3-4H3;8-12,30H,7H2,1-6H3.

What are the key properties of 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol?

1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 2868.17 g/mol, XLogP of 27.14, 40 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-chloro-3-(cyclopropylmethoxy)-2-ethylquinolin-6-yl]-hydroxy-(3-methyltriazol-4-yl)methyl]azetidin-1-yl]ethanone;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(cyclopropylmethoxy)-2-methoxyquinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-(2,2-difluoropropoxy)-2-methoxy-8-methylquinolin-6-yl]-(2,3-dimethylimidazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-bis(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-3-ethoxy-2-methoxyquinolin-6-yl)-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 159632010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).