4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one

C17H16N2O2 — CID 115994549

IUPAC4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)c1ccccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-2-16(20)12-7-3-5-9-14(12)19-11-17(21)18-13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyXSYQFJNIYWUTGW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one

4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 115994549) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID115994549
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)c1ccccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-2-16(20)12-7-3-5-9-14(12)19-11-17(21)18-13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyXSYQFJNIYWUTGW-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-propanoylphenyl)-1,3-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

4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-(2-propanoylphenyl)piperazin-2-one
CID 112677272
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 107928491
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
CID 63370746
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
CID 86070231
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-1,3-dihydroquinoxalin-2-one
CID 82957257

Frequently Asked Questions

What is the IUPAC name of 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one (CID 115994549) is 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one is CCC(=O)c1ccccc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XSYQFJNIYWUTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-16(20)12-7-3-5-9-14(12)19-11-17(21)18-13-8-4-6-10-15(13)19/h3-10H,2,11H2,1H3,(H,18,21).
What are the key properties of 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one?
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115994549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).