4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline

C231H297F6N19O8S6 — CID 158079672

IUPAC4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)N1CC(C)(C)S(=O)(=O)c2ccccc21.CC(C)(C)N1CC(C)(C)S(=O)c2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCS(=O)(=O)c2ccccc21.CC(C)(C)N1CCS(=O)c2ccccc21.CC(C)(C)N1CCSc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.CC(C)(C)c1nc(C(F)(F)F)n2ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc2S1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc2ccccc2c(C(C)(C)C)c1C
InChIInChI=1S/C16H17NO.C16H19N.C15H19N.C14H14F3N.C14H21NO2S.C14H21NOS.C14H21NS.4C14H17N.C12H13F3N2.C12H16N2.C12H17NO2S.C12H17NOS.C12H17NO.C12H17NS/c1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-13(2,3)15-10-14(4,5)18(16,17)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)17(16)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-12(2,3)13-8-9-16(14,15)11-7-5-4-6-10(11)13;1-12(2,3)13-8-9-15(14)11-7-5-4-6-10(11)13;2*1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h4-11H,1-3H3;4-7,10-11H,8-9H2,1-3H3;6-9H,1-5H3;4-8H,1-3H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;4*5-9H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2*4-7H,8-9H2,1-3H3
InChIKeyFMUJAGSCDLMJHP-UHFFFAOYSA-N
MW3774.43 g/mol
LogP60.59
Rot. Bonds1

About 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline

4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline (PubChem CID 158079672) has the molecular formula C231H297F6N19O8S6 and a molecular weight of 3774.43 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline
PubChem CID158079672
Molecular FormulaC231H297F6N19O8S6
Molecular Weight3774.43 g/mol
Exact Mass3771.16
IUPAC Name4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)N1CC(C)(C)S(=O)(=O)c2ccccc21.CC(C)(C)N1CC(C)(C)S(=O)c2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCS(=O)(=O)c2ccccc21.CC(C)(C)N1CCS(=O)c2ccccc21.CC(C)(C)N1CCSc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.CC(C)(C)c1nc(C(F)(F)F)n2ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc2S1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc2ccccc2c(C(C)(C)C)c1C
InChIInChI=1S/C16H17NO.C16H19N.C15H19N.C14H14F3N.C14H21NO2S.C14H21NOS.C14H21NS.4C14H17N.C12H13F3N2.C12H16N2.C12H17NO2S.C12H17NOS.C12H17NO.C12H17NS/c1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-13(2,3)15-10-14(4,5)18(16,17)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)17(16)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-12(2,3)13-8-9-16(14,15)11-7-5-4-6-10(11)13;1-12(2,3)13-8-9-15(14)11-7-5-4-6-10(11)13;2*1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h4-11H,1-3H3;4-7,10-11H,8-9H2,1-3H3;6-9H,1-5H3;4-8H,1-3H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;4*5-9H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2*4-7H,8-9H2,1-3H3
InChIKeyFMUJAGSCDLMJHP-UHFFFAOYSA-N
XLogP60.59
TPSA271.63 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds1
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003774.43
LogP ≤ 560.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline with MolForge

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Related Compounds

7-(2,2-Difluoroethoxy)-4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;ethane;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]-7-(2,2,2-trifluoroethoxy)isoquinoline
CID 154690991
5-methyl-10-[4-[5-[4-(10-methylphenazin-5-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]phenazine;10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenothiazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenothiazine;10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenoxazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenoxazine;hexakis(palladium(2+))
CID 157128160
2-[2-carbazol-9-yl-5-[5-[4-carbazol-9-yl-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;bis(10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenothiazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenothiazine);10-[2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-[5-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-4-phenoxazin-10-ylbenzene-2-id-1-yl]pyrazin-2-yl]benzene-3-id-1-yl]phenoxazine;tetrakis(palladium(2+));tetrakis(platinum(2+))
CID 158071842
CID 158227964
CID 158227964
2-(9,9-dimethylacridin-10-yl)-6-(3,6-diphenylcarbazol-9-yl)-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-(3,6-diphenylcarbazol-9-yl)-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-quinolin-4-ylphenyl)pyridin-4-amine;2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine
CID 158896667
2-[2-Carbazol-9-yl-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;2-[3-(5-cyanopyrimidin-2-yl)-5-(5-isocyanopyrimidin-2-yl)-2,4,6-tri(phenothiazin-10-yl)phenyl]pyrimidine-5-carbonitrile;2-[2-(9,9-dimethylacridin-10-yl)-3-(5-isocyanopyrimidin-2-yl)phenyl]pyrimidine-5-carbonitrile;5-[2,6-di(phenoxazin-10-yl)phenyl]pyrazine-2-carbonitrile
CID 158983004
10-[2-[2,7-Bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-9,9-dimethylacridine;10-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenothiazine;10-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenoxazine;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 159703628
10-[5-(14-Aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenothiazine;10-[5-(14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-yl)pyrazin-2-yl]phenoxazine;8-(8-carbazol-9-ylquinolin-5-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene;8-[5-(9,9-dimethylacridin-10-yl)pyrazin-2-yl]-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 159836871
1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole
CID 160100847
10-[2-[2,7-Bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-9,9-dimethylacridine;10-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenothiazine;10-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]phenoxazine;hexakis(platinum(2+))
CID 160612513
1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;1-methyl-2H-quinoline;1-methyl-4H-quinoline
CID 160656944
ethane;10-methyl-9H-acridine;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;1-methyl-2-phenylbenzimidazole;5-methyl-10-phenylphenazine
CID 160779081

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline (CID 158079672) is 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline is CC(C)(C)N1CC(C)(C)S(=O)(=O)c2ccccc21.CC(C)(C)N1CC(C)(C)S(=O)c2ccccc21.CC(C)(C)N1CCOc2ccccc21.CC(C)(C)N1CCS(=O)(=O)c2ccccc21.CC(C)(C)N1CCS(=O)c2ccccc21.CC(C)(C)N1CCSc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.CC(C)(C)c1nc(C(F)(F)F)n2ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc2S1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1nc(C(C)(C)C)c2ccccn12.Cc1nc2ccccc2c(C(C)(C)C)c1C.
What is the InChIKey of 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline?
The InChIKey is FMUJAGSCDLMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C16H19N.C15H19N.C14H14F3N.C14H21NO2S.C14H21NOS.C14H21NS.4C14H17N.C12H13F3N2.C12H16N2.C12H17NO2S.C12H17NOS.C12H17NO.C12H17NS/c1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-13(2,3)15-10-14(4,5)18(16,17)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)17(16)12-9-7-6-8-11(12)15;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-11(2,3)9-8-6-4-5-7-17(8)10(16-9)12(13,14)15;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-12(2,3)13-8-9-16(14,15)11-7-5-4-6-10(11)13;1-12(2,3)13-8-9-15(14)11-7-5-4-6-10(11)13;2*1-12(2,3)13-8-9-14-11-7-5-4-6-10(11)13/h4-11H,1-3H3;4-7,10-11H,8-9H2,1-3H3;6-9H,1-5H3;4-8H,1-3H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;6-9H,10H2,1-5H3;4*5-9H,1-4H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,8-9H2,1-3H3;4-7H,8-9H2,1-3H3;2*4-7H,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline?
4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline has a molecular weight of 3774.43 g/mol, XLogP of 60.59, 1 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclopropylquinoline;4-tert-butyl-2,3-dihydro-1,4-benzothiazine;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,3-dihydro-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,2-dimethyl-3H-1,4-benzothiazine;4-tert-butyl-2,2-dimethyl-3H-1λ6,4-benzothiazine 1,1-dioxide;4-tert-butyl-2,2-dimethyl-3H-1λ4,4-benzothiazine 1-oxide;4-tert-butyl-2,3-dimethylquinoline;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;tetrakis(4-tert-butyl-2-methylquinoline);10-tert-butylphenoxazine;1-tert-butyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;4-tert-butyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 158079672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).