6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

C222H284Cl2F6N16O5 — CID 159344306

IUPAC6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H23N.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H14N2.C11H16.C10H19NO.2C10H15N/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(12)11-6-9(7-11)5-10(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/h6-9,11-12H,10H2,1-5H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-7H,1-3H3,(H,12,13);4-8H,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3/t;;;;;;;;;;;;10-;;;;;/m............0...../s1
InChIKeyLGNHPTOFLHLGIU-PXHPTNDQSA-N
MW3441.71 g/mol
LogP60.72
Rot. Bonds11

About 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (PubChem CID 159344306) has the molecular formula C222H284Cl2F6N16O5 and a molecular weight of 3441.71 g/mol. Its IUPAC name is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
PubChem CID159344306
Molecular FormulaC222H284Cl2F6N16O5
Molecular Weight3441.71 g/mol
Exact Mass3438.17
IUPAC Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H23N.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H14N2.C11H16.C10H19NO.2C10H15N/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(12)11-6-9(7-11)5-10(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/h6-9,11-12H,10H2,1-5H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-7H,1-3H3,(H,12,13);4-8H,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3/t;;;;;;;;;;;;10-;;;;;/m............0...../s1
InChIKeyLGNHPTOFLHLGIU-PXHPTNDQSA-N
XLogP60.72
TPSA285.96 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003441.71
LogP ≤ 560.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene with MolForge

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Related Compounds

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 157412822
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
2-[4-(4-ethylhexoxy)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;1-[3-(2-isoquinolin-4-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[4-[2-[4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]phenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]ethanimidamide;2-[4-[2-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]ethynyl]isoquinolin-8-yl]guanidine
CID 158262551
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)azetidine-1-carboxylate;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 158636432
1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 161087555
2-[4-[3-(diethylamino)propoxy]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;1-[3-(2-isoquinolin-4-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[4-[2-[4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]phenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]ethanimidamide;2-[4-[2-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]ethynyl]isoquinolin-8-yl]guanidine
CID 161472245
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;6-tert-butylisoquinolin-4-ol;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 161510572
2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 162031057
1-[3-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]ethanone;4-methyl-N-(3-methylphenyl)-3-[[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-7H-cyclopenta[b]pyridin-4-yl]oxy]benzamide;2-(3-methylphenyl)-1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]ethanone
CID 162221350

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (CID 159344306) is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is CC(=O)N1CC(CC(C)(C)C)C1.CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.C[C@@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The InChIKey is LGNHPTOFLHLGIU-PXHPTNDQSA-N. The full InChI is InChI=1S/C17H23N.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H14N2.C11H16.C10H19NO.2C10H15N/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-10-7-5-4-6-8-10;1-8(12)11-6-9(7-11)5-10(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/h6-9,11-12H,10H2,1-5H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-7H,1-3H3,(H,12,13);4-8H,9H2,1-3H3;9H,5-7H2,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3/t;;;;;;;;;;;;10-;;;;;/m............0...../s1.
What are the key properties of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene has a molecular weight of 3441.71 g/mol, XLogP of 60.72, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 159344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).