4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

C18H18N2O2 — CID 16863995

IUPAC4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)10-18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLNDOPNGTZOUQAH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds2

About 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 16863995) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID16863995
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)10-18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLNDOPNGTZOUQAH-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2,4-dimethylphenyl)acetyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 16863995) is 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is LNDOPNGTZOUQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-8-14(13(2)9-12)10-18(22)20-11-17(21)19-15-5-3-4-6-16(15)20/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).