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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol

C161H171Cl8F11N24O16S — CID 160822088

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 160822088) has the molecular formula C161H171Cl8F11N24O16S and a molecular weight of 3222.96 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol.

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
• PubChem CID: 160822088
• Molecular Formula: C161H171Cl8F11N24O16S
• Molecular Weight: 3222.96 g/mol
• Exact Mass: 3217.04
• 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
• SMILES: CCc1c(Cl)nc2ccc(C(O)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCSCC1.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(CC(C)(F)F)c(Cl)c2c1.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
• InChI: InChI=1S/C32H37F6N5O4.C27H30ClN5O2S.C23H17Cl2F5N4O.C22H25ClN2O2.C21H23ClN2O3.C19H22ClN3O3.C17H17Cl2N3O/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;1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)35-4)13-18-9-11-36-12-10-18;1-21(26,27)8-15-19(24)14-7-12(3-5-16(14)33-20(15)25)22(35,18-10-31-11-34(18)2)13-4-6-17(32-9-13)23(28,29)30;1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4;1-11(2)27-20-18(22)16-10-14(7-9-17(16)24-21(20)26-5)19(25)15-8-6-12(3)23-13(15)4;1-10(2)26-18-16(20)13-8-12(6-7-14(13)22-19(18)25-5)17(24)15-9-21-11(3)23(15)4;1-4-11-15(18)12-7-10(5-6-13(12)21-17(11)19)16(23)14-8-20-9(2)22(14)3/h8-9,16-19,46H,5-7,10-15H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;3-7,9-11,35H,8H2,1-2H3;6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-10,17,24H,1-5H3;5-8,16,23H,4H2,1-3H3
• InChIKey: SFRHZGIIVOMHRX-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 490.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3222.96
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol (CID 160822088) 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol.

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol is CCc1c(Cl)nc2ccc(C(O)c3cnc(C)n3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCSCC1.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1CC(C)C.COc1nc2ccc(C(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(CC(C)(F)F)c(Cl)c2c1.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.

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?

The InChIKey is SFRHZGIIVOMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N5O4.C27H30ClN5O2S.C23H17Cl2F5N4O.C22H25ClN2O2.C21H23ClN2O3.C19H22ClN3O3.C17H17Cl2N3O/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;1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)35-4)13-18-9-11-36-12-10-18;1-21(26,27)8-15-19(24)14-7-12(3-5-16(14)33-20(15)25)22(35,18-10-31-11-34(18)2)13-4-6-17(32-9-13)23(28,29)30;1-12(2)10-18-20(23)17-11-15(7-9-19(17)25-22(18)27-5)21(26)16-8-6-13(3)24-14(16)4;1-11(2)27-20-18(22)16-10-14(7-9-17(16)24-21(20)26-5)19(25)15-8-6-12(3)23-13(15)4;1-10(2)26-18-16(20)13-8-12(6-7-14(13)22-19(18)25-5)17(24)15-9-21-11(3)23(15)4;1-4-11-15(18)12-7-10(5-6-13(12)21-17(11)19)16(23)14-8-20-9(2)22(14)3/h8-9,16-19,46H,5-7,10-15H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;3-7,9-11,35H,8H2,1-2H3;6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-10,17,24H,1-5H3;5-8,16,23H,4H2,1-3H3.

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol?

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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 3222.96 g/mol, XLogP of 35.69, 33 rotatable bonds, 7 hydrogen bond donors, and 39 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-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)methanol;[4-chloro-2-methoxy-3-(thian-4-ylmethyl)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[2,4-dichloro-3-(2,2-difluoropropyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(2,4-dichloro-3-ethylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 160822088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).