tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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

C191H219Cl6F12N31O19S — CID 157499537

IUPACtert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCSCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ccccc1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(Cl)c1CC1CCCCC1.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
InChIInChI=1S/C32H43ClN4O4.C32H37F6N5O4.C28H26ClN5O3.C27H30ClN5O2S.C27H35ClN4O2.C27H29F6N5O2.C18H19Cl2N3O2/c1-31(2,3)41-30(38)37-15-13-22(14-16-37)32(39,27-19-34-20-36(27)4)23-11-12-26-24(18-23)28(33)25(29(35-26)40-5)17-21-9-7-6-8-10-21;1-29(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;1-17-10-12-22(18(2)31-17)28(35,24-15-30-33-34(24)3)20-11-13-23-21(14-20)25(29)26(27(32-23)36-4)37-16-19-8-6-5-7-9-19;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;1-32-17-30-16-24(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;1-9(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/h11-12,18-22,39H,6-10,13-17H2,1-5H3;8-9,16-19,46H,5-7,10-15H2,1-4H3;5-15,35H,16H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;8-9,15-19,29,33H,3-7,10-14H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;5-9,16,24H,1-4H3
InChIKeyBYFZALPKVJGNAJ-UHFFFAOYSA-N
MW3725.81 g/mol
LogP37.37
Rot. Bonds37

About tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 157499537) has the molecular formula C191H219Cl6F12N31O19S and a molecular weight of 3725.81 g/mol. Its IUPAC name is tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 Nametert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 CID157499537
Molecular FormulaC191H219Cl6F12N31O19S
Molecular Weight3725.81 g/mol
Exact Mass3720.48
IUPAC Nametert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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
SMILESCOc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCSCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ccccc1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(Cl)c1CC1CCCCC1.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
InChIInChI=1S/C32H43ClN4O4.C32H37F6N5O4.C28H26ClN5O3.C27H30ClN5O2S.C27H35ClN4O2.C27H29F6N5O2.C18H19Cl2N3O2/c1-31(2,3)41-30(38)37-15-13-22(14-16-37)32(39,27-19-34-20-36(27)4)23-11-12-26-24(18-23)28(33)25(29(35-26)40-5)17-21-9-7-6-8-10-21;1-29(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;1-17-10-12-22(18(2)31-17)28(35,24-15-30-33-34(24)3)20-11-13-23-21(14-20)25(29)26(27(32-23)36-4)37-16-19-8-6-5-7-9-19;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;1-32-17-30-16-24(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;1-9(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/h11-12,18-22,39H,6-10,13-17H2,1-5H3;8-9,16-19,46H,5-7,10-15H2,1-4H3;5-15,35H,16H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;8-9,15-19,29,33H,3-7,10-14H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;5-9,16,24H,1-4H3
InChIKeyBYFZALPKVJGNAJ-UHFFFAOYSA-N
XLogP37.37
TPSA587.28 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds37
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.81
LogP ≤ 537.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 157499537) is tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1CC1CCSCC1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1ccccc1.COc1nc2ccc(C(O)(c3cncn3C)C3CCN(C(=O)OC(C)(C)C)CC3)cc2c(Cl)c1CC1CCCCC1.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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 BYFZALPKVJGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43ClN4O4.C32H37F6N5O4.C28H26ClN5O3.C27H30ClN5O2S.C27H35ClN4O2.C27H29F6N5O2.C18H19Cl2N3O2/c1-31(2,3)41-30(38)37-15-13-22(14-16-37)32(39,27-19-34-20-36(27)4)23-11-12-26-24(18-23)28(33)25(29(35-26)40-5)17-21-9-7-6-8-10-21;1-29(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;1-17-10-12-22(18(2)31-17)28(35,24-15-30-33-34(24)3)20-11-13-23-21(14-20)25(29)26(27(32-23)36-4)37-16-19-8-6-5-7-9-19;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;1-32-17-30-16-24(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;1-9(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/h11-12,18-22,39H,6-10,13-17H2,1-5H3;8-9,16-19,46H,5-7,10-15H2,1-4H3;5-15,35H,16H2,1-4H3;5-8,14-15,18,34H,9-13H2,1-4H3;8-9,15-19,29,33H,3-7,10-14H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;5-9,16,24H,1-4H3.
What are the key properties of tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 3725.81 g/mol, XLogP of 37.37, 37 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-chloro-3-(cyclohexylmethyl)-2-methoxyquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]piperidine-1-carboxylate;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;(4-chloro-2-methoxy-3-phenylmethoxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)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-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 157499537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).