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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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

C189H215Cl7F9N27O21S — CID 157302076

IUPACtert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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
SMILESCOc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.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)c1CC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.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(Cl)c2c1)C1CCNCC1
InChIInChI=1S/C32H37F6N5O4.C27H30ClN5O2S.C26H29ClF3N5O2.C22H25ClN2O3.C22H25ClN2O2.C21H23ClN2O3.C20H24ClN3O2.C19H22ClN3O3/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;1-34-15-32-14-20(34)25(37,16-7-9-31-10-8-16)17-5-6-19-18(13-17)22(27)21(23(33-19)26(28,29)30)24(36)35-11-3-2-4-12-35;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;1-12(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;1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)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/h8-9,16-19,46H,5-7,10-15H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;5-6,13-16,31,37H,2-4,7-12H2,1H3;7-12,26H,1-6H3;6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-7,9-11,19,25H,8H2,1-5H3;6-10,17,24H,1-5H3
InChIKeyBCAFKYWBHNPIIB-UHFFFAOYSA-N
MW3652.19 g/mol
LogP38.97
Rot. Bonds39

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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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

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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 (PubChem CID 157302076) has the molecular formula C189H215Cl7F9N27O21S and a molecular weight of 3652.19 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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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.

Molecular Properties

Compound Nametert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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
PubChem CID157302076
Molecular FormulaC189H215Cl7F9N27O21S
Molecular Weight3652.19 g/mol
Exact Mass3646.40
IUPAC Nametert-butyl 4-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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
SMILESCOc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.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)c1CC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.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(Cl)c2c1)C1CCNCC1
InChIInChI=1S/C32H37F6N5O4.C27H30ClN5O2S.C26H29ClF3N5O2.C22H25ClN2O3.C22H25ClN2O2.C21H23ClN2O3.C20H24ClN3O2.C19H22ClN3O3/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;1-34-15-32-14-20(34)25(37,16-7-9-31-10-8-16)17-5-6-19-18(13-17)22(27)21(23(33-19)26(28,29)30)24(36)35-11-3-2-4-12-35;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;1-12(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;1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)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/h8-9,16-19,46H,5-7,10-15H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;5-6,13-16,31,37H,2-4,7-12H2,1H3;7-12,26H,1-6H3;6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-7,9-11,19,25H,8H2,1-5H3;6-10,17,24H,1-5H3
InChIKeyBCAFKYWBHNPIIB-UHFFFAOYSA-N
XLogP38.97
TPSA583.77 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003652.19
LogP ≤ 538.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Analyze 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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 with MolForge

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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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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?
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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 (CID 157302076) 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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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.
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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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?
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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 is COc1nc2ccc(C(C)(O)c3ccc(C)nc3C)cc2c(Cl)c1OC(C)C.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)c1CC(C)C.COc1nc2ccc(C(O)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.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(Cl)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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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?
The InChIKey is BCAFKYWBHNPIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N5O4.C27H30ClN5O2S.C26H29ClF3N5O2.C22H25ClN2O3.C22H25ClN2O2.C21H23ClN2O3.C20H24ClN3O2.C19H22ClN3O3/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;1-34-15-32-14-20(34)25(37,16-7-9-31-10-8-16)17-5-6-19-18(13-17)22(27)21(23(33-19)26(28,29)30)24(36)35-11-3-2-4-12-35;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;1-12(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;1-11(2)8-15-18(21)14-9-13(6-7-16(14)23-20(15)26-5)19(25)17-10-22-12(3)24(17)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/h8-9,16-19,46H,5-7,10-15H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;5-6,13-16,31,37H,2-4,7-12H2,1H3;7-12,26H,1-6H3;6-9,11-12,21,26H,10H2,1-5H3;6-11,19,25H,1-5H3;6-7,9-11,19,25H,8H2,1-5H3;6-10,17,24H,1-5H3.
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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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?
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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 has a molecular weight of 3652.19 g/mol, XLogP of 38.97, 39 rotatable bonds, 9 hydrogen bond donors, and 46 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-6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2-(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone;[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol;[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;1-(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanol;(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 is sourced from PubChem (CID 157302076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).