3-(benzylamino)-1H-quinoxalin-2-one

C15H13N3O — CID 6324103

IUPAC3-(benzylamino)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NCc1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-14(16-10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyJDUYTAACPJYAHK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.54
Rot. Bonds3

About 3-(benzylamino)-1H-quinoxalin-2-one

3-(benzylamino)-1H-quinoxalin-2-one (PubChem CID 6324103) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(benzylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(benzylamino)-1H-quinoxalin-2-one
PubChem CID6324103
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(benzylamino)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1NCc1ccccc1
InChIInChI=1S/C15H13N3O/c19-15-14(16-10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyJDUYTAACPJYAHK-UHFFFAOYSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzylamino)-1H-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 3-(benzylamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-(benzylamino)-1H-quinoxalin-2-one (CID 6324103) is 3-(benzylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(benzylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(benzylamino)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-1H-quinoxalin-2-one?
The InChIKey is JDUYTAACPJYAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15-14(16-10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 3-(benzylamino)-1H-quinoxalin-2-one?
3-(benzylamino)-1H-quinoxalin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 6324103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).