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

C204H252Cl2F3N19O5 — CID 158636432

IUPAC6-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
SMILESCC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.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)c1ccc2ccccc2c1.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
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.C13H25NO2.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.2C11H14N2.C10H13N3/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;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;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;10H,7-9H2,1-6H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyHZVDLLHUIMZKHW-UHFFFAOYSA-N
MW3178.29 g/mol
LogP55.39
Rot. Bonds5

About 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

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 (PubChem CID 158636432) has the molecular formula C204H252Cl2F3N19O5 and a molecular weight of 3178.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158636432
Molecular FormulaC204H252Cl2F3N19O5
Molecular Weight3178.29 g/mol
Exact Mass3174.94
IUPAC Name6-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
SMILESCC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.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)c1ccc2ccccc2c1.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
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.C13H25NO2.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.2C11H14N2.C10H13N3/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;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;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;10H,7-9H2,1-6H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13)
InChIKeyHZVDLLHUIMZKHW-UHFFFAOYSA-N
XLogP55.39
TPSA319.43 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003178.29
LogP ≤ 555.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

16-amino-21-[2-[2-[4-[4-amino-7-[2-[2-[4-[4-amino-6-(6-ethynyl-4-methyl-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]-2-chlorophenoxy]pyrimidin-4-yl]ethyl]-6-(6-ethynyl-4-methyl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-cyanophenoxy]pyrimidin-4-yl]ethyl]-5-ethynyl-6,11-difluoro-N-(2-methylpropyl)-4,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-10-carboxamide
CID 155310766
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
6-chloro-N-[[2-(4,4-difluoropiperidin-1-yl)quinolin-6-yl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[2-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)quinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-methyl-N-[[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[[2-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]quinolin-6-yl]methyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 158205272
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;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
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
2-(1,1-difluoroethyl)-6-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;2-(1,1-difluoroethyl)-7-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;2-methylidene-6-(2-phenoxypyrimidin-5-yl)-1H-quinoxaline;5-methyl-6-(2-phenoxypyrimidin-5-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperidin-1-yl)-2-phenoxypyrimidine;5-naphthalen-1-yl-2-phenoxypyrimidine;5-(2-phenoxypyrimidin-5-yl)-1H-indole;1-[4-(2-phenoxypyrimidin-5-yl)phenyl]ethanone;1-(2-phenoxypyrimidin-5-yl)piperidin-2-one
CID 163668047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.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)c1ccc2ccccc2c1.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.
What is the InChIKey of 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?
The InChIKey is HZVDLLHUIMZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H16.2C13H14ClN.C13H25NO2.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.2C11H14N2.C10H13N3/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-12(2,3)7-10-8-14(9-10)11(15)16-13(4,5)6;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;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;10H,7-9H2,1-6H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13).
What are the key properties of 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?
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 has a molecular weight of 3178.29 g/mol, XLogP of 55.39, 5 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158636432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).