4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline

C96H156N14O — CID 159237336

IUPAC4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline
SMILESCC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2C.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1cccc2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.Cc1nc(C(C)C)c2n1CCN(C(C)C)C2
InChIInChI=1S/C15H24N2.2C15H23N.C14H21NO.C13H23N3.2C12H21N3/c1-11(2)13-6-7-14-15(10-13)17(12(3)4)9-8-16(14)5;1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-11(2)14-7-5-6-13-8-9-16(12(3)4)10-15(13)14;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)13-12-8-15(10(3)4)6-7-16(12)11(5)14-13;2*1-9(2)12-11-7-14(10(3)4)5-6-15(11)8-13-12/h6-7,10-12H,8-9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;9-10H,6-8H2,1-5H3;2*8-10H,5-7H2,1-4H3
InChIKeyKTQKFLUEFRZZAL-UHFFFAOYSA-N
MW1522.40 g/mol
LogP21.44
Rot. Bonds14

About 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline

4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline (PubChem CID 159237336) has the molecular formula C96H156N14O and a molecular weight of 1522.40 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline
PubChem CID159237336
Molecular FormulaC96H156N14O
Molecular Weight1522.40 g/mol
Exact Mass1521.26
IUPAC Name4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline
SMILESCC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2C.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1cccc2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.Cc1nc(C(C)C)c2n1CCN(C(C)C)C2
InChIInChI=1S/C15H24N2.2C15H23N.C14H21NO.C13H23N3.2C12H21N3/c1-11(2)13-6-7-14-15(10-13)17(12(3)4)9-8-16(14)5;1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-11(2)14-7-5-6-13-8-9-16(12(3)4)10-15(13)14;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)13-12-8-15(10(3)4)6-7-16(12)11(5)14-13;2*1-9(2)12-11-7-14(10(3)4)5-6-15(11)8-13-12/h6-7,10-12H,8-9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;9-10H,6-8H2,1-5H3;2*8-10H,5-7H2,1-4H3
InChIKeyKTQKFLUEFRZZAL-UHFFFAOYSA-N
XLogP21.44
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.40
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline with MolForge

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Related Compounds

1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline
CID 161067768
1-propan-2-yl-5-[5-(7-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)hexan-2-yl]-3,4-dihydro-2H-quinoline
CID 135200255
1-(8-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 155043779
1-tert-butylbenzimidazole;4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-tert-butyl-2,3-dihydropyrrolo[3,2-b]pyridine;1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butylindole;ethane;1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylindazole
CID 167665179
1,4-dimethyl-6-propan-2-yl-2,3-dihydroquinoxaline
CID 58398104
ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
CID 158710178
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
CID 142578026
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 146618626
N-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-amine
CID 148995681
4-amino-1-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)butan-1-ol
CID 82340154

Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline?
The IUPAC name of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline (CID 159237336) is 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline?
The canonical SMILES for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline is CC(C)c1ccc2c(c1)N(C(C)C)CCC2.CC(C)c1ccc2c(c1)N(C(C)C)CCN2C.CC(C)c1ccc2c(c1)N(C(C)C)CCO2.CC(C)c1cccc2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.CC(C)c1ncn2c1CN(C(C)C)CC2.Cc1nc(C(C)C)c2n1CCN(C(C)C)C2.
What is the InChIKey of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline?
The InChIKey is KTQKFLUEFRZZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C15H23N.C14H21NO.C13H23N3.2C12H21N3/c1-11(2)13-6-7-14-15(10-13)17(12(3)4)9-8-16(14)5;1-11(2)14-8-7-13-6-5-9-16(12(3)4)15(13)10-14;1-11(2)14-7-5-6-13-8-9-16(12(3)4)10-15(13)14;1-10(2)12-5-6-14-13(9-12)15(11(3)4)7-8-16-14;1-9(2)13-12-8-15(10(3)4)6-7-16(12)11(5)14-13;2*1-9(2)12-11-7-14(10(3)4)5-6-15(11)8-13-12/h6-7,10-12H,8-9H2,1-5H3;7-8,10-12H,5-6,9H2,1-4H3;5-7,11-12H,8-10H2,1-4H3;5-6,9-11H,7-8H2,1-4H3;9-10H,6-8H2,1-5H3;2*8-10H,5-7H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline?
4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline has a molecular weight of 1522.40 g/mol, XLogP of 21.44, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine;bis(1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine);2,8-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline;3-methyl-1,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-4,6-di(propan-2-yl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 159237336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).