[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone

C143H149Cl7F5N25O20S — CID 158416072

About [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone

[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone (PubChem CID 158416072) has the molecular formula C143H149Cl7F5N25O20S and a molecular weight of 2913.15 g/mol. Its IUPAC name is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
• PubChem CID: 158416072
• Molecular Formula: C143H149Cl7F5N25O20S
• Molecular Weight: 2913.15 g/mol
• Exact Mass: 2907.89
• IUPAC Name: [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
• SMILES: COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C
• InChI: InChI=1S/C27H31ClN2O4.C24H21Cl2F2N3O3.C24H22ClF3N4O4.C24H26ClN5O3.C22H25ClN6O3.C22H24ClN5O3S/c1-17(2)34-25-24(28)22-16-21(10-11-23(22)29-26(25)33-4)27(32,19-8-6-5-7-9-19)20-12-14-30(15-13-20)18(3)31;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2;1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4;1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4;1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h5-11,16-17,20,32H,12-15H2,1-4H3;4-11,13,32H,12H2,1-3H3;4-7,10-13,33H,8-9H2,1-3H3;7-13,31H,1-6H3;7-12,30H,1-6H3;7-11,29H,1-6H3
• InChIKey: GZXHDHFBBKVHLY-UHFFFAOYSA-N
• XLogP: 26.55
• TPSA: 523.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2913.15
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone?

The IUPAC name of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone (CID 158416072) is [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone.

What is the SMILES notation for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone?

The canonical SMILES for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone is COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1OCC(C)(F)F.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OC(C)C.

What is the InChIKey of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone?

The InChIKey is GZXHDHFBBKVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O4.C24H21Cl2F2N3O3.C24H22ClF3N4O4.C24H26ClN5O3.C22H25ClN6O3.C22H24ClN5O3S/c1-17(2)34-25-24(28)22-16-21(10-11-23(22)29-26(25)33-4)27(32,19-8-6-5-7-9-19)20-12-14-30(15-13-20)18(3)31;1-23(27,28)12-34-21-20(26)17-10-15(6-9-18(17)30-22(21)33-3)24(32,19-11-29-13-31(19)2)14-4-7-16(25)8-5-14;1-32-13-29-12-19(32)23(33,15-5-7-18(30-11-15)24(26,27)28)14-4-6-17-16(10-14)20(25)21(22(31-17)35-3)36-9-8-34-2;1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4;1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4;1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h5-11,16-17,20,32H,12-15H2,1-4H3;4-11,13,32H,12H2,1-3H3;4-7,10-13,33H,8-9H2,1-3H3;7-13,31H,1-6H3;7-12,30H,1-6H3;7-11,29H,1-6H3.

What are the key properties of [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone?

[4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone has a molecular weight of 2913.15 g/mol, XLogP of 26.55, 39 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-(2,2-difluoropropoxy)-2-methoxyquinolin-6-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158416072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).