6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine

C245H315Cl2N31O2S — CID 159537453

IUPAC6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine
SMILESC=C1Cc2ccc(C(C)(C)C)cc2C1.C=C1Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCO2.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.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.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H23N.C14H18.2C13H14ClN.C13H15NO.C13H17N.3C13H15N.C12H17N3.C12H16N2.C12H14N2.C12H19N.C11H16N4.2C11H14N2.C11H13NS.C11H17N.C10H13N3.C10H16N2O/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;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)11-8-10-6-4-5-7-12(10)14-9-11;1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-7-6-8(2)15-10(12-7)13-9(14-15)11(3,4)5;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;2*1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-10(2,3)8-7-9-12(11-8)5-4-6-13-9/h6-9,11-12H,10H2,1-5H3;5-6,9H,1,7-8H2,2-4H3;2*4-8H,1-3H3;4-8H,1-3H3,(H,14,15);5-6,8,14H,1,7H2,2-4H3;3*4-9H,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;4-8H2,1-3H3;6H,1-5H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyMDTRYPTZZPHGND-UHFFFAOYSA-N
MW3829.40 g/mol
LogP63.97
Rot. Bonds2

About 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine (PubChem CID 159537453) has the molecular formula C245H315Cl2N31O2S and a molecular weight of 3829.40 g/mol. Its IUPAC name is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine
PubChem CID159537453
Molecular FormulaC245H315Cl2N31O2S
Molecular Weight3829.40 g/mol
Exact Mass3825.46
IUPAC Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine
SMILESC=C1Cc2ccc(C(C)(C)C)cc2C1.C=C1Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCO2.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.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.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H23N.C14H18.2C13H14ClN.C13H15NO.C13H17N.3C13H15N.C12H17N3.C12H16N2.C12H14N2.C12H19N.C11H16N4.2C11H14N2.C11H13NS.C11H17N.C10H13N3.C10H16N2O/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;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)11-8-10-6-4-5-7-12(10)14-9-11;1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-7-6-8(2)15-10(12-7)13-9(14-15)11(3,4)5;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;2*1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-10(2,3)8-7-9-12(11-8)5-4-6-13-9/h6-9,11-12H,10H2,1-5H3;5-6,9H,1,7-8H2,2-4H3;2*4-8H,1-3H3;4-8H,1-3H3,(H,14,15);5-6,8,14H,1,7H2,2-4H3;3*4-9H,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;4-8H2,1-3H3;6H,1-5H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyMDTRYPTZZPHGND-UHFFFAOYSA-N
XLogP63.97
TPSA402.69 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds2
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003829.40
LogP ≤ 563.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine with MolForge

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Related Compounds

3-methyl-5H-cyclopenta[b]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;bis(6-methyl-1H-pyrrolo[3,4-c]pyridine);2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157361556
3-chloro-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 157713547
2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-2-methylidene-3H-1,3-benzoxazole;6-tert-butyl-2-methylidene-1,3-dihydroindole;5-tert-butyl-2-methylidene-3H-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-2-methylidene-1H-[1,3]oxazolo[5,4-c]pyridine;3-tert-butyl-1-methylindazole;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole
CID 158314417
2-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 159327624
2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-1-methylindazole;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole
CID 159614474
3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 160753655
3-chloro-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160950192
6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 161278634
2-tert-butyl-1-benzothiophene;6-tert-butyl-4-chloroquinoline;5-tert-butyl-1,3-dihydroinden-2-one;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole;methane
CID 162254858
bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 167546101
bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;(4-propan-2-ylphenyl)methanamine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 167612117
bis(3-chloro-1-methyl-5-propan-2-ylindazole);1,3-dimethyl-5-propan-2-ylindazole;(2-methoxy-4-propan-2-ylphenyl)methanamine;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-methyl-4-propan-2-ylpyridin-2-amine;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;(4-propan-2-ylphenyl)methanamine;4-propan-2-ylpyridin-2-amine;(5-propan-2-yl-2-pyridinyl)methanamine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-ylthiophene
CID 167682167

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine (CID 159537453) is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine is C=C1Cc2ccc(C(C)(C)C)cc2C1.C=C1Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C1=NCC2=C1CCC2.CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)c1c[nH]c2ncccc12.CC(C)(C)c1c[nH]c2ncncc12.CC(C)(C)c1cc2cccnc2[nH]1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCO2.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.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.Cc1cc(C)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C(C)(C)C)nc2n1.Cn1nc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine?
The InChIKey is MDTRYPTZZPHGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H18.2C13H14ClN.C13H15NO.C13H17N.3C13H15N.C12H17N3.C12H16N2.C12H14N2.C12H19N.C11H16N4.2C11H14N2.C11H13NS.C11H17N.C10H13N3.C10H16N2O/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;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;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;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)11-8-10-6-4-5-7-12(10)14-9-11;1-8-6-9(2)15-11(13-8)7-10(14-15)12(3,4)5;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-7-6-8(2)15-10(12-7)13-9(14-15)11(3,4)5;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;2*1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-11(2,3)10-9-6-4-5-8(9)7-12-10;1-10(2,3)8-5-12-9-7(8)4-11-6-13-9;1-10(2,3)8-7-9-12(11-8)5-4-6-13-9/h6-9,11-12H,10H2,1-5H3;5-6,9H,1,7-8H2,2-4H3;2*4-8H,1-3H3;4-8H,1-3H3,(H,14,15);5-6,8,14H,1,7H2,2-4H3;3*4-9H,1-3H3;6-7H,1-5H3;5-8H,1-4H3;4-8H,1-3H3;4-8H2,1-3H3;6H,1-5H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7H2,1-3H3;4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine?
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine has a molecular weight of 3829.40 g/mol, XLogP of 63.97, 2 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butylisoquinoline;5-tert-butyl-2-methylidene-1,3-dihydroindene;6-tert-butyl-2-methylidene-1,3-dihydroindole;3-tert-butyl-1-methylindazole;4-tert-butyl-2-(2-methylpropyl)quinoline;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;6-tert-butyl-1H-quinolin-4-one;3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;2-tert-butylthieno[2,3-b]pyridine is sourced from PubChem (CID 159537453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).