3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one

C21H17N3O — CID 3296477

IUPAC3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21-20(23-17-13-7-8-14-18(17)24-21)19(15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14,19,22H,(H,24,25)
InChIKeyKOKWWRIPTLUQRH-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.12
Rot. Bonds4

About 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one

3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 3296477) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one
PubChem CID3296477
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17N3O/c25-21-20(23-17-13-7-8-14-18(17)24-21)19(15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14,19,22H,(H,24,25)
InChIKeyKOKWWRIPTLUQRH-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[anilino(phenyl)methyl]-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-[anilino(phenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one (CID 3296477) is 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is KOKWWRIPTLUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21-20(23-17-13-7-8-14-18(17)24-21)19(15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14,19,22H,(H,24,25).
What are the key properties of 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one?
3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 327.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[anilino(phenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 3296477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).