1-benzyl-3-phenylquinoxalin-2-one

C21H16N2O — CID 91594409

IUPAC1-benzyl-3-phenylquinoxalin-2-one
SMILESO=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-20(17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyVSOBLGMKECIRKI-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds3

About 1-benzyl-3-phenylquinoxalin-2-one

1-benzyl-3-phenylquinoxalin-2-one (PubChem CID 91594409) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-benzyl-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-phenylquinoxalin-2-one
PubChem CID91594409
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-benzyl-3-phenylquinoxalin-2-one
SMILESO=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-20(17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyVSOBLGMKECIRKI-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylquinoxalin-2-one?
The IUPAC name of 1-benzyl-3-phenylquinoxalin-2-one (CID 91594409) is 1-benzyl-3-phenylquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-phenylquinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-phenylquinoxalin-2-one is O=c1c(-c2ccccc2)nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylquinoxalin-2-one?
The InChIKey is VSOBLGMKECIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-20(17-11-5-2-6-12-17)22-18-13-7-8-14-19(18)23(21)15-16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of 1-benzyl-3-phenylquinoxalin-2-one?
1-benzyl-3-phenylquinoxalin-2-one has a molecular weight of 312.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylquinoxalin-2-one is sourced from PubChem (CID 91594409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).