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

C16H24N2O — CID 82157237

IUPAC3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cc(C)c(C)cc2N(CC(C)C)C1=O
InChIInChI=1S/C16H24N2O/c1-6-13-16(19)18(9-10(2)3)15-8-12(5)11(4)7-14(15)17-13/h7-8,10,13,17H,6,9H2,1-5H3
InChIKeyLRWMZNJTHLLMCJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.50
Rot. Bonds3

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

3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82157237) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
PubChem CID82157237
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCCC1Nc2cc(C)c(C)cc2N(CC(C)C)C1=O
InChIInChI=1S/C16H24N2O/c1-6-13-16(19)18(9-10(2)3)15-8-12(5)11(4)7-14(15)17-13/h7-8,10,13,17H,6,9H2,1-5H3
InChIKeyLRWMZNJTHLLMCJ-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157244
1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
CID 82157579
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
2-(3-ethyl-6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157563
5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
CID 131041674
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (CID 82157237) is 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is CCC1Nc2cc(C)c(C)cc2N(CC(C)C)C1=O.
What is the InChIKey of 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is LRWMZNJTHLLMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-13-16(19)18(9-10(2)3)15-8-12(5)11(4)7-14(15)17-13/h7-8,10,13,17H,6,9H2,1-5H3.
What are the key properties of 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).