1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one

C17H18N2O — CID 117006650

IUPAC1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
SMILESCCc1ccccc1N1C(=O)CN(C)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-13-8-4-5-9-14(13)19-16-11-7-6-10-15(16)18(2)12-17(19)20/h4-11H,3,12H2,1-2H3
InChIKeyHOSJVKNCQBTZQT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds2

About 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one

1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one (PubChem CID 117006650) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
PubChem CID117006650
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
SMILESCCc1ccccc1N1C(=O)CN(C)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-13-8-4-5-9-14(13)19-16-11-7-6-10-15(16)18(2)12-17(19)20/h4-11H,3,12H2,1-2H3
InChIKeyHOSJVKNCQBTZQT-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one (CID 117006650) is 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one is CCc1ccccc1N1C(=O)CN(C)c2ccccc21.
What is the InChIKey of 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one?
The InChIKey is HOSJVKNCQBTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-13-8-4-5-9-14(13)19-16-11-7-6-10-15(16)18(2)12-17(19)20/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one?
1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).