3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one

C18H28N2O — CID 82157230

IUPAC3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N2O/c1-5-7-8-9-10-20-17-12-14(4)13(3)11-16(17)19-15(6-2)18(20)21/h11-12,15,19H,5-10H2,1-4H3
InChIKeyXHCAZINRLFZSJP-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.42
Rot. Bonds6

About 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one

3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157230) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157230
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C18H28N2O/c1-5-7-8-9-10-20-17-12-14(4)13(3)11-16(17)19-15(6-2)18(20)21/h11-12,15,19H,5-10H2,1-4H3
InChIKeyXHCAZINRLFZSJP-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
2-(3-ethyl-6,7-dimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157244
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
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 12790729

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one (CID 82157230) is 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one is CCCCCCN1C(=O)C(CC)Nc2cc(C)c(C)cc21.
What is the InChIKey of 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is XHCAZINRLFZSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-7-8-9-10-20-17-12-14(4)13(3)11-16(17)19-15(6-2)18(20)21/h11-12,15,19H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one?
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 288.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).