1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone

C163H181Cl4F6N23O14S — CID 157413499

About 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 157413499) has the molecular formula C163H181Cl4F6N23O14S and a molecular weight of 2974.25 g/mol. Its IUPAC name is 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone
• PubChem CID: 157413499
• Molecular Formula: C163H181Cl4F6N23O14S
• Molecular Weight: 2974.25 g/mol
• Exact Mass: 2970.25
• IUPAC Name: 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(C(O)(c2ccc3nc(C(F)(F)F)c(C(=O)N4CCCCC4)c(C(F)(F)F)c3c2)c2cncn2C)CC1.CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.CCc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C.COc1cc2cc(C(O)(c3sc(C)nc3C)c3cnnn3C)ccc2nc1-c1ccccc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCCCC1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCCCC1
• InChI: InChI=1S/C31H37ClN2O3.C29H37ClN4O3.C29H31F6N5O3.C26H29ClN2O2.C25H23N5O2S.C23H24ClN5O/c1-21(35)34-17-15-24(16-18-34)31(36,23-11-7-4-8-12-23)25-13-14-28-26(20-25)29(32)27(30(33-28)37-2)19-22-9-5-3-6-10-22;1-19(35)34-13-11-21(12-14-34)29(36,26-17-31-18-33(26)2)22-9-10-25-23(16-22)27(30)24(28(32-25)37-3)15-20-7-5-4-6-8-20;1-17(41)39-12-8-18(9-13-39)27(43,22-15-36-16-38(22)2)19-6-7-21-20(14-19)24(28(30,31)32)23(25(37-21)29(33,34)35)26(42)40-10-4-3-5-11-40;1-4-23-17(2)25(27)22-16-21(10-11-24(22)28-23)26(31,19-8-6-5-7-9-19)20-12-14-29(15-13-20)18(3)30;1-15-24(33-16(2)27-15)25(31,22-14-26-29-30(22)3)19-10-11-20-18(12-19)13-21(32-4)23(28-20)17-8-6-5-7-9-17;1-6-19-14(3)22(24)17-11-16(8-10-20(17)27-19)23(30,21-12-25-28-29(21)5)18-9-7-13(2)26-15(18)4/h4,7-8,11-14,20,22,24,36H,3,5-6,9-10,15-19H2,1-2H3;9-10,16-18,20-21,36H,4-8,11-15H2,1-3H3;6-7,14-16,18,43H,3-5,8-13H2,1-2H3;5-11,16,20,31H,4,12-15H2,1-3H3;5-14,31H,1-4H3;7-12,30H,6H2,1-5H3
• InChIKey: BOOIZYOUUXVKLS-UHFFFAOYSA-N
• XLogP: 30.72
• TPSA: 450.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2974.25
LogP ≤ 5	30.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone (CID 157413499) is 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)(c2ccc3nc(C(F)(F)F)c(C(=O)N4CCCCC4)c(C(F)(F)F)c3c2)c2cncn2C)CC1.CCc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C.CCc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1C.COc1cc2cc(C(O)(c3sc(C)nc3C)c3cnnn3C)ccc2nc1-c1ccccc1.COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCCCC1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(C)=O)CC3)cc2c(Cl)c1CC1CCCCC1.

What is the InChIKey of 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone?

The InChIKey is BOOIZYOUUXVKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN2O3.C29H37ClN4O3.C29H31F6N5O3.C26H29ClN2O2.C25H23N5O2S.C23H24ClN5O/c1-21(35)34-17-15-24(16-18-34)31(36,23-11-7-4-8-12-23)25-13-14-28-26(20-25)29(32)27(30(33-28)37-2)19-22-9-5-3-6-10-22;1-19(35)34-13-11-21(12-14-34)29(36,26-17-31-18-33(26)2)22-9-10-25-23(16-22)27(30)24(28(32-25)37-3)15-20-7-5-4-6-8-20;1-17(41)39-12-8-18(9-13-39)27(43,22-15-36-16-38(22)2)19-6-7-21-20(14-19)24(28(30,31)32)23(25(37-21)29(33,34)35)26(42)40-10-4-3-5-11-40;1-4-23-17(2)25(27)22-16-21(10-11-24(22)28-23)26(31,19-8-6-5-7-9-19)20-12-14-29(15-13-20)18(3)30;1-15-24(33-16(2)27-15)25(31,22-14-26-29-30(22)3)19-10-11-20-18(12-19)13-21(32-4)23(28-20)17-8-6-5-7-9-17;1-6-19-14(3)22(24)17-11-16(8-10-20(17)27-19)23(30,21-12-25-28-29(21)5)18-9-7-13(2)26-15(18)4/h4,7-8,11-14,20,22,24,36H,3,5-6,9-10,15-19H2,1-2H3;9-10,16-18,20-21,36H,4-8,11-15H2,1-3H3;6-7,14-16,18,43H,3-5,8-13H2,1-2H3;5-11,16,20,31H,4,12-15H2,1-3H3;5-14,31H,1-4H3;7-12,30H,6H2,1-5H3.

What are the key properties of 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone?

1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 2974.25 g/mol, XLogP of 30.72, 29 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidin-1-yl]ethanone;1-[4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(4-chloro-2-ethyl-3-methylquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;1-[4-[(4-chloro-2-ethyl-3-methylquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-2-phenylquinolin-6-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157413499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).