7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C208H328N26O6S — CID 158642782

IUPAC7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)NCCN2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)C1CCC2NCCCC2C1.CC(C)C1CCc2ncccc2C1.CC(C)N1CCC2N=CNC2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)c1ccc2nnccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H19N.C12H18N2.C12H17NO.4C12H13NO.C12H23N.C12H17N.C11H12N2.C10H14N2.C10H12N2.C9H17N3.C9H11N3.C9H10N2O.C9H10N2S.16C2H6/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)12(14)5-6-13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-13-11;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;16*1-2/h6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13-14H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4*3-8H,1-2H3,(H,13,14);9-13H,3-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-8H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H,11,12);6-9H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;16*1-2H3
InChIKeyIAPDSODCIZBOBJ-UHFFFAOYSA-N
MW3321.15 g/mol
LogP56.59
Rot. Bonds13

About 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158642782) has the molecular formula C208H328N26O6S and a molecular weight of 3321.15 g/mol. Its IUPAC name is 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID158642782
Molecular FormulaC208H328N26O6S
Molecular Weight3321.15 g/mol
Exact Mass3318.59
IUPAC Name7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)NCCN2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)C1CCC2NCCCC2C1.CC(C)C1CCc2ncccc2C1.CC(C)N1CCC2N=CNC2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)c1ccc2nnccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1
InChIInChI=1S/C13H19N.C12H18N2.C12H17NO.4C12H13NO.C12H23N.C12H17N.C11H12N2.C10H14N2.C10H12N2.C9H17N3.C9H11N3.C9H10N2O.C9H10N2S.16C2H6/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)12(14)5-6-13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-13-11;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;16*1-2/h6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13-14H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4*3-8H,1-2H3,(H,13,14);9-13H,3-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-8H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H,11,12);6-9H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;16*1-2H3
InChIKeyIAPDSODCIZBOBJ-UHFFFAOYSA-N
XLogP56.59
TPSA418.20 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003321.15
LogP ≤ 556.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158633368
CID 158633368
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
CID 160156765
CID 160156765
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 158642782) is 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)NCCN2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)C1CCC2NCCCC2C1.CC(C)C1CCc2ncccc2C1.CC(C)N1CCC2N=CNC2C1.CC(C)N1Cc2cccnc2C1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)c1ccc2nnccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is IAPDSODCIZBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H18N2.C12H17NO.4C12H13NO.C12H23N.C12H17N.C11H12N2.C10H14N2.C10H12N2.C9H17N3.C9H11N3.C9H10N2O.C9H10N2S.16C2H6/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)12(14)5-6-13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14;2*1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-13-11;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)12-4-3-8-9(5-12)11-6-10-8;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;16*1-2/h6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13-14H,6-7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4*3-8H,1-2H3,(H,13,14);9-13H,3-8H2,1-2H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-8H,1-2H3;3-5,8H,6-7H2,1-2H3;3-7H,1-2H3,(H,11,12);6-9H,3-5H2,1-2H3,(H,10,11);3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;16*1-2H3.
What are the key properties of 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 3321.15 g/mol, XLogP of 56.59, 13 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;6-tert-butyl-1,2,3,4-tetrahydroquinoxaline;ethane;6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;5-propan-2-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridine;6-propan-2-ylcinnoline;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-4-one;7-propan-2-yl-1H-quinolin-4-one;6-propan-2-yl-5,6,7,8-tetrahydroquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158642782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).