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

C15H20N2O — CID 82157226

IUPAC3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C15H20N2O/c1-5-7-17-14-9-11(4)10(3)8-13(14)16-12(6-2)15(17)18/h5,8-9,12,16H,1,6-7H2,2-4H3
InChIKeyPIWCNQNAYBGQDG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds3

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

3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157226) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157226
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
SMILESC=CCN1C(=O)C(CC)Nc2cc(C)c(C)cc21
InChIInChI=1S/C15H20N2O/c1-5-7-17-14-9-11(4)10(3)8-13(14)16-12(6-2)15(17)18/h5,8-9,12,16H,1,6-7H2,2-4H3
InChIKeyPIWCNQNAYBGQDG-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
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
(5S)-5-ethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 740819
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
7-methyl-5-prop-2-enyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157863
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157494
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756
3-ethyl-1-prop-2-enyl-3H-indol-2-one
CID 15047278

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one (CID 82157226) is 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one is C=CCN1C(=O)C(CC)Nc2cc(C)c(C)cc21.
What is the InChIKey of 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is PIWCNQNAYBGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-7-17-14-9-11(4)10(3)8-13(14)16-12(6-2)15(17)18/h5,8-9,12,16H,1,6-7H2,2-4H3.
What are the key properties of 3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one?
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.03, 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-prop-2-enyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).