3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one

C15H22N2O — CID 82157291

IUPAC3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCc1cc2c(cc1C)N(CC(C)C)C(=O)C(C)N2
InChIInChI=1S/C15H22N2O/c1-9(2)8-17-14-7-11(4)10(3)6-13(14)16-12(5)15(17)18/h6-7,9,12,16H,8H2,1-5H3
InChIKeyBBZRAOYCGYSNPT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.11
Rot. Bonds2

About 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one

3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82157291) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
PubChem CID82157291
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCc1cc2c(cc1C)N(CC(C)C)C(=O)C(C)N2
InChIInChI=1S/C15H22N2O/c1-9(2)8-17-14-7-11(4)10(3)6-13(14)16-12(5)15(17)18/h6-7,9,12,16H,8H2,1-5H3
InChIKeyBBZRAOYCGYSNPT-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305
3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82156979
6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157674
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-(6,7-dimethoxy-3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157446

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (CID 82157291) is 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is Cc1cc2c(cc1C)N(CC(C)C)C(=O)C(C)N2.
What is the InChIKey of 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is BBZRAOYCGYSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-9(2)8-17-14-7-11(4)10(3)6-13(14)16-12(5)15(17)18/h6-7,9,12,16H,8H2,1-5H3.
What are the key properties of 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).