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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone

C165H170Cl5F16N31O16 — CID 159045962

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-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CC(F)(F)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CCCCC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.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/C32H37F6N5O4.C28H32ClN5O3.C27H22Cl2N4O2.C27H29F6N5O2.C26H25ClF2N6O2.C25H25ClF2N6O3/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;1-17-10-12-22(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;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;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;1-14-6-8-19(15(2)31-14)26(36,21-11-30-33-34(21)4)17-7-9-20-18(10-17)23(27)22(24(32-20)37-5)16(3)35-12-25(28,29)13-35;1-13-6-8-17(14(2)31-13)25(36,19-11-30-33-34(19)4)15-7-9-18-16(10-15)21(26)20(23(32-18)37-5)22(35)29-12-24(3,27)28/h8-9,16-19,46H,5-7,10-15H2,1-4H3;10-15,19,35H,5-9,16H2,1-4H3;3-14,16,34H,15H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;6-11,36H,3,12-13H2,1-2,4-5H3;6-11,36H,12H2,1-5H3,(H,29,35)
InChIKeyJWQQXOJVRWBKNQ-UHFFFAOYSA-N
MW3324.61 g/mol
LogP30.45
Rot. Bonds34

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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 159045962) has the molecular formula C165H170Cl5F16N31O16 and a molecular weight of 3324.61 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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-[hydroxy-(3-methylimidazol-4-yl)-[3-(piperidine-1-carbonyl)-2,4-bis(trifluoromethyl)quinolin-6-yl]methyl]piperidine-1-carboxylate;[4-chloro-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID159045962
Molecular FormulaC165H170Cl5F16N31O16
Molecular Weight3324.61 g/mol
Exact Mass3320.16
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-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESC=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CC(F)(F)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CCCCC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.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/C32H37F6N5O4.C28H32ClN5O3.C27H22Cl2N4O2.C27H29F6N5O2.C26H25ClF2N6O2.C25H25ClF2N6O3/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;1-17-10-12-22(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;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;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;1-14-6-8-19(15(2)31-14)26(36,21-11-30-33-34(21)4)17-7-9-20-18(10-17)23(27)22(24(32-20)37-5)16(3)35-12-25(28,29)13-35;1-13-6-8-17(14(2)31-13)25(36,19-11-30-33-34(19)4)15-7-9-18-16(10-15)21(26)20(23(32-18)37-5)22(35)29-12-24(3,27)28/h8-9,16-19,46H,5-7,10-15H2,1-4H3;10-15,19,35H,5-9,16H2,1-4H3;3-14,16,34H,15H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;6-11,36H,3,12-13H2,1-2,4-5H3;6-11,36H,12H2,1-5H3,(H,29,35)
InChIKeyJWQQXOJVRWBKNQ-UHFFFAOYSA-N
XLogP30.45
TPSA556.55 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms233
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003324.61
LogP ≤ 530.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

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-3-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone (CID 159045962) 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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone is C=C(c1c(OC)nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c1Cl)N1CC(F)(F)C1.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1C(=O)NCC(C)(F)F.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC1CCCCC1.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OCc4ccccc4)c(Cl)c3c2)c2cncn2C)cn1.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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methanol;[6-[hydroxy-(3-methylimidazol-4-yl)-piperidin-4-ylmethyl]-2,4-bis(trifluoromethyl)quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JWQQXOJVRWBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N5O4.C28H32ClN5O3.C27H22Cl2N4O2.C27H29F6N5O2.C26H25ClF2N6O2.C25H25ClF2N6O3/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;1-17-10-12-22(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;1-17-8-9-20(13-31-17)27(34,23-14-30-16-33(23)2)19-10-11-22-21(12-19)24(28)25(26(29)32-22)35-15-18-6-4-3-5-7-18;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;1-14-6-8-19(15(2)31-14)26(36,21-11-30-33-34(21)4)17-7-9-20-18(10-17)23(27)22(24(32-20)37-5)16(3)35-12-25(28,29)13-35;1-13-6-8-17(14(2)31-13)25(36,19-11-30-33-34(19)4)15-7-9-18-16(10-15)21(26)20(23(32-18)37-5)22(35)29-12-24(3,27)28/h8-9,16-19,46H,5-7,10-15H2,1-4H3;10-15,19,35H,5-9,16H2,1-4H3;3-14,16,34H,15H2,1-2H3;5-6,13-16,34,40H,2-4,7-12H2,1H3;6-11,36H,3,12-13H2,1-2,4-5H3;6-11,36H,12H2,1-5H3,(H,29,35).
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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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 3324.61 g/mol, XLogP of 30.45, 34 rotatable bonds, 8 hydrogen bond donors, and 43 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-(cyclohexylmethoxy)-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-3-[1-(3,3-difluoroazetidin-1-yl)ethenyl]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;4-chloro-N-(2,2-difluoropropyl)-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinoline-3-carboxamide;(2,4-dichloro-3-phenylmethoxyquinolin-6-yl)-(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)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 159045962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).