tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone

C126H145Cl4F12N19O13 — CID 157158529

About tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone

tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 157158529) has the molecular formula C126H145Cl4F12N19O13 and a molecular weight of 2503.45 g/mol. Its IUPAC name is tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone
• PubChem CID: 157158529
• Molecular Formula: C126H145Cl4F12N19O13
• Molecular Weight: 2503.45 g/mol
• Exact Mass: 2499.98
• IUPAC Name: tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone
• SMILES: COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3cncn3C)C3CCNCC3)cc2c(Cl)c1CC1CCCCC1.Cc1ncc(C(O)c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)n1C.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(C(=O)N3CCCCC3)c(C(F)(F)F)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(C(=O)N3CCCCC3)c(C(F)(F)F)c2c1)C1CCNCC1
• InChI: InChI=1S/C32H37F6N5O4.C27H35ClN4O2.C27H29F6N5O2.C22H25ClN2O3.C18H19Cl2N3O2/c1-29(2,3)47-28(45)43-14-10-19(11-15-43)30(46,23-17-39-18-41(23)4)20-8-9-22-21(16-20)25(31(33,34)35)24(26(40-22)32(36,37)38)27(44)42-12-6-5-7-13-42;1-32-17-30-16-24(32)27(33,19-10-12-29-13-11-19)20-8-9-23-21(15-20)25(28)22(26(31-23)34-2)14-18-6-4-3-5-7-18;1-37-15-35-14-20(37)25(40,16-7-9-34-10-8-16)17-5-6-19-18(13-17)22(26(28,29)30)21(23(36-19)27(31,32)33)24(39)38-11-3-2-4-12-38;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4;1-9(2)25-17-15(19)12-7-11(5-6-13(12)22-18(17)20)16(24)14-8-21-10(3)23(14)4/h8-9,16-19,46H,5-7,10-15H2,1-4H3;8-9,15-19,29,33H,3-7,10-14H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;7-12,26H,1-6H3;5-9,16,24H,1-4H3
• InChIKey: AMCDXBISGVVUPP-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 380.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.45
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone?

The IUPAC name of tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone (CID 157158529) is tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone?

The canonical SMILES for tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone is COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)(c3cncn3C)C3CCNCC3)cc2c(Cl)c1CC1CCCCC1.Cc1ncc(C(O)c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)n1C.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(C(=O)N3CCCCC3)c(C(F)(F)F)c2c1)C1CCN(C(=O)OC(C)(C)C)CC1.Cn1cncc1C(O)(c1ccc2nc(C(F)(F)F)c(C(=O)N3CCCCC3)c(C(F)(F)F)c2c1)C1CCNCC1.

What is the InChIKey of tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone?

The InChIKey is AMCDXBISGVVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N5O4.C27H35ClN4O2.C27H29F6N5O2.C22H25ClN2O3.C18H19Cl2N3O2/c1-29(2,3)47-28(45)43-14-10-19(11-15-43)30(46,23-17-39-18-41(23)4)20-8-9-22-21(16-20)25(31(33,34)35)24(26(40-22)32(36,37)38)27(44)42-12-6-5-7-13-42;1-32-17-30-16-24(32)27(33,19-10-12-29-13-11-19)20-8-9-23-21(15-20)25(28)22(26(31-23)34-2)14-18-6-4-3-5-7-18;1-37-15-35-14-20(37)25(40,16-7-9-34-10-8-16)17-5-6-19-18(13-17)22(26(28,29)30)21(23(36-19)27(31,32)33)24(39)38-11-3-2-4-12-38;1-12(2)28-20-19(23)16-11-15(8-10-18(16)25-21(20)27-6)22(5,26)17-9-7-13(3)24-14(17)4;1-9(2)25-17-15(19)12-7-11(5-6-13(12)22-18(17)20)16(24)14-8-21-10(3)23(14)4/h8-9,16-19,46H,5-7,10-15H2,1-4H3;8-9,15-19,29,33H,3-7,10-14H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;7-12,26H,1-6H3;5-9,16,24H,1-4H3.

What are the key properties of tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone?

tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 2503.45 g/mol, XLogP of 25.78, 23 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-piperidin-4-ylmethanol;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 157158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).