tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline

C116H166N8O4 — CID 158335824

IUPACtert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCC2(C)C
InChIInChI=1S/C18H27NO2.C16H21NO.C15H23N.C14H19NO.C14H19N.C14H21N.C13H19N.C12H17N/c1-17(2,3)14-10-9-13-8-7-11-19(15(13)12-14)16(20)21-18(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-14(2,3)11-6-7-12-13(10-11)16-9-8-15(12,4)5;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h9-10,12H,7-8,11H2,1-6H3;5-6,9H,7-8,10H2,1-4H3;6-7,10,16H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyGQOJJXPFGICYNV-UHFFFAOYSA-N
MW1736.66 g/mol
LogP28.45
Rot. Bonds

About tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline

tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158335824) has the molecular formula C116H166N8O4 and a molecular weight of 1736.66 g/mol. Its IUPAC name is tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nametert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID158335824
Molecular FormulaC116H166N8O4
Molecular Weight1736.66 g/mol
Exact Mass1735.30
IUPAC Nametert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCC2(C)C
InChIInChI=1S/C18H27NO2.C16H21NO.C15H23N.C14H19NO.C14H19N.C14H21N.C13H19N.C12H17N/c1-17(2,3)14-10-9-13-8-7-11-19(15(13)12-14)16(20)21-18(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-14(2,3)11-6-7-12-13(10-11)16-9-8-15(12,4)5;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h9-10,12H,7-8,11H2,1-6H3;5-6,9H,7-8,10H2,1-4H3;6-7,10,16H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3
InChIKeyGQOJJXPFGICYNV-UHFFFAOYSA-N
XLogP28.45
TPSA130.31 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001736.66
LogP ≤ 528.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158335824) is tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(=O)N1CC2(CC2)c2ccc(C(C)(C)C)cc21.CC(=O)N1CCc2ccc(C(C)(C)C)cc21.CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)C)cc21.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCC2(C)C.CC(C)(C)c1ccc2c(c1)NCC21CC1.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)NCCC2(C)C.
What is the InChIKey of tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GQOJJXPFGICYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.C16H21NO.C15H23N.C14H19NO.C14H19N.C14H21N.C13H19N.C12H17N/c1-17(2,3)14-10-9-13-8-7-11-19(15(13)12-14)16(20)21-18(4,5)6;1-11(18)17-10-16(7-8-16)13-6-5-12(9-14(13)17)15(2,3)4;1-14(2,3)11-6-7-12-13(10-11)16-9-8-15(12,4)5;1-10(16)15-8-7-11-5-6-12(9-13(11)15)14(2,3)4;1-13(2,3)10-4-5-11-12(8-10)15-9-14(11)6-7-14;1-13(2,3)10-6-7-11-12(8-10)15-9-14(11,4)5;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h9-10,12H,7-8,11H2,1-6H3;5-6,9H,7-8,10H2,1-4H3;6-7,10,16H,8-9H2,1-5H3;5-6,9H,7-8H2,1-4H3;4-5,8,15H,6-7,9H2,1-3H3;6-8,15H,9H2,1-5H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3.
What are the key properties of tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1736.66 g/mol, XLogP of 28.45, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxylate;6-tert-butyl-2,3-dihydro-1H-indole;1-(6-tert-butyl-2,3-dihydroindol-1-yl)ethanone;6-tert-butyl-3,3-dimethyl-1,2-dihydroindole;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-quinoline;6-tert-butylspiro[1,2-dihydroindole-3,1'-cyclopropane];1-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;7-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).