1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one

C22H18N2O2 — CID 154069808

IUPAC1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESO=C(CN1C(=O)CNc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-21(15-24-20-9-5-4-8-19(20)23-14-22(24)26)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23H,14-15H2
InChIKeyHXYGERQVHOCZPJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.99
Rot. Bonds4

About 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one

1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 154069808) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
PubChem CID154069808
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESO=C(CN1C(=O)CNc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-21(15-24-20-9-5-4-8-19(20)23-14-22(24)26)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23H,14-15H2
InChIKeyHXYGERQVHOCZPJ-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-oxo-2-(4-phenylphenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one (CID 154069808) is 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one is O=C(CN1C(=O)CNc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is HXYGERQVHOCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21(15-24-20-9-5-4-8-19(20)23-14-22(24)26)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,23H,14-15H2.
What are the key properties of 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one?
1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenylphenyl)ethyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 154069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).