7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane

C235H367ClF6N20O8S — CID 159376330

IUPAC7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane
SMILESCC.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CCOC1.CC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1cnc[nH]1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC1CCC(C(C)(C)C)CC1.CC1CCC(C)CC1.C[C@@H](c1ccccc1)C(C)(C)C.Cc1ccnn1CC(C)(C)C.Cc1nccn1CC(C)(C)C.Cc1ncsc1CCC(C)(C)C
InChIInChI=1S/C13H14ClN.C13H17F3O.C13H25NO2.C13H15NO.2C13H15N.C12H15F3O.C12H18.C11H17N.C11H22.C11H16.C10H17NS.2C10H15N.3C9H16N2.C9H18O.2C8H14N2.C8H15NO2.C8H16.C2H6/c1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)8-7-10-6-4-5-9-12-10;1-9-5-7-10(8-6-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-8-9(12-7-11-8)5-6-10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8-10-5-6-11(8)7-9(2,3)4;1-8-5-6-10-11(8)7-9(2,3)4;1-9(2,3)5-4-8-6-10-7-11-8;1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10;1-8(2,3)6-9-4-5-11-7(9)10;1-7-3-5-8(2)6-4-7;1-2/h4-8H,1-3H3;4-8,17H,9H2,1-3H3;10H,7-9H2,1-6H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-7H,8H2,1-3H3;5-10H,1-4H3;4-6,9H,7-8H2,1-3H3;9-10H,5-8H2,1-4H3;4-8H,9H2,1-3H3;7H,5-6H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*5-6H,7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8H,4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3/t;;;;;;;10-;;;;;;;;;;;;;;;/m.......0.............../s1
InChIKeyLKJANVPHIIJQPQ-ZWTXDLIOSA-N
MW3782.16 g/mol
LogP66.46
Rot. Bonds21

About 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane

7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane (PubChem CID 159376330) has the molecular formula C235H367ClF6N20O8S and a molecular weight of 3782.16 g/mol. Its IUPAC name is 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane.

Molecular Properties

Compound Name7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane
PubChem CID159376330
Molecular FormulaC235H367ClF6N20O8S
Molecular Weight3782.16 g/mol
Exact Mass3778.82
IUPAC Name7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane
SMILESCC.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CCOC1.CC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1cnc[nH]1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC1CCC(C(C)(C)C)CC1.CC1CCC(C)CC1.C[C@@H](c1ccccc1)C(C)(C)C.Cc1ccnn1CC(C)(C)C.Cc1nccn1CC(C)(C)C.Cc1ncsc1CCC(C)(C)C
InChIInChI=1S/C13H14ClN.C13H17F3O.C13H25NO2.C13H15NO.2C13H15N.C12H15F3O.C12H18.C11H17N.C11H22.C11H16.C10H17NS.2C10H15N.3C9H16N2.C9H18O.2C8H14N2.C8H15NO2.C8H16.C2H6/c1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)8-7-10-6-4-5-9-12-10;1-9-5-7-10(8-6-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-8-9(12-7-11-8)5-6-10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8-10-5-6-11(8)7-9(2,3)4;1-8-5-6-10-11(8)7-9(2,3)4;1-9(2,3)5-4-8-6-10-7-11-8;1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10;1-8(2,3)6-9-4-5-11-7(9)10;1-7-3-5-8(2)6-4-7;1-2/h4-8H,1-3H3;4-8,17H,9H2,1-3H3;10H,7-9H2,1-6H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-7H,8H2,1-3H3;5-10H,1-4H3;4-6,9H,7-8H2,1-3H3;9-10H,5-8H2,1-4H3;4-8H,9H2,1-3H3;7H,5-6H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*5-6H,7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8H,4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3/t;;;;;;;10-;;;;;;;;;;;;;;;/m.......0.............../s1
InChIKeyLKJANVPHIIJQPQ-ZWTXDLIOSA-N
XLogP66.46
TPSA331.68 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003782.16
LogP ≤ 566.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane with MolForge

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Related Compounds

tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;1-tert-butyl-4-methylcyclohexane;1-tert-butyl-3-methylidenecyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane;(4-methylcyclohexyl)methanol;(1R)-1-methyl-3-methylidenecyclohexane;(1S)-1-methyl-3-methylidenecyclohexane
CID 157860747
7-tert-butyl-4-chloroquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane;1-ethyl-4-methylcyclohexane;methane;4-methylcyclohexan-1-ol
CID 161249796
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;bis(6-tert-butyl-2,3-dihydroisoindol-1-one);5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
CID 158355664
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;6-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-2-fluorobenzamide;tert-butyl N-(2-hydroxy-2,5,5-trimethylhex-3-ynyl)carbamate;4-tert-butyl-2-methoxypyridine;5-tert-butyl-3-methylidene-1,2-dihydroisoindole;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;2-tert-butylpyrimidine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-(5-tert-butyl-1,3-thiazol-2-yl)propan-2-ol;4-tert-butyl-2H-triazole;1,4-ditert-butylpyrazole;1,1-difluoro-2,5,5-trimethylhex-3-yn-2-ol;ethane;1-fluoro-2-(fluoromethyl)-5,5-dimethylhex-3-yn-2-ol;1-fluoro-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-3-yne-1,2-diol;2,5,5-trimethylhex-3-yn-2-ol
CID 158733997

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane?
The IUPAC name of 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane (CID 159376330) is 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane.
What is the SMILES notation for 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane?
The canonical SMILES for 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane is CC.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CCOC1.CC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1cnc[nH]1.CC(C)(C)CN1CCOC1=O.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cn1ccnc1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC1CCC(C(C)(C)C)CC1.CC1CCC(C)CC1.C[C@@H](c1ccccc1)C(C)(C)C.Cc1ccnn1CC(C)(C)C.Cc1nccn1CC(C)(C)C.Cc1ncsc1CCC(C)(C)C.
What is the InChIKey of 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane?
The InChIKey is LKJANVPHIIJQPQ-ZWTXDLIOSA-N. The full InChI is InChI=1S/C13H14ClN.C13H17F3O.C13H25NO2.C13H15NO.2C13H15N.C12H15F3O.C12H18.C11H17N.C11H22.C11H16.C10H17NS.2C10H15N.3C9H16N2.C9H18O.2C8H14N2.C8H15NO2.C8H16.C2H6/c1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)8-7-10-6-4-5-9-12-10;1-9-5-7-10(8-6-9)11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-8-9(12-7-11-8)5-6-10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8-10-5-6-11(8)7-9(2,3)4;1-8-5-6-10-11(8)7-9(2,3)4;1-9(2,3)5-4-8-6-10-7-11-8;1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-10-5-4-9-7-10;1-8(2,3)6-9-4-5-11-7(9)10;1-7-3-5-8(2)6-4-7;1-2/h4-8H,1-3H3;4-8,17H,9H2,1-3H3;10H,7-9H2,1-6H3;4-8H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-7H,8H2,1-3H3;5-10H,1-4H3;4-6,9H,7-8H2,1-3H3;9-10H,5-8H2,1-4H3;4-8H,9H2,1-3H3;7H,5-6H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;2*5-6H,7H2,1-4H3;6-7H,4-5H2,1-3H3,(H,10,11);8H,4-7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;4-6H2,1-3H3;7-8H,3-6H2,1-2H3;1-2H3/t;;;;;;;10-;;;;;;;;;;;;;;;/m.......0.............../s1.
What are the key properties of 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane?
7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane has a molecular weight of 3782.16 g/mol, XLogP of 66.46, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;5-(3,3-dimethylbutyl)-1H-imidazole;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)pyridine;1,4-dimethylcyclohexane;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;1-(2,2-dimethylpropyl)-2-methylimidazole;1-(2,2-dimethylpropyl)-5-methylpyrazole;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)oxolane;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene;ethane is sourced from PubChem (CID 159376330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).