1-methyl-3-phenylquinoxalin-2-one

C15H12N2O — CID 848834

IUPAC1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyXWBFKTDOMCTTDQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.60
Rot. Bonds1

About 1-methyl-3-phenylquinoxalin-2-one

1-methyl-3-phenylquinoxalin-2-one (PubChem CID 848834) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-3-phenylquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-phenylquinoxalin-2-one
PubChem CID848834
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-phenylquinoxalin-2-one
SMILESCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyXWBFKTDOMCTTDQ-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylquinoxalin-2-one?
The IUPAC name of 1-methyl-3-phenylquinoxalin-2-one (CID 848834) is 1-methyl-3-phenylquinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-phenylquinoxalin-2-one?
The canonical SMILES for 1-methyl-3-phenylquinoxalin-2-one is Cn1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-phenylquinoxalin-2-one?
The InChIKey is XWBFKTDOMCTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 1-methyl-3-phenylquinoxalin-2-one?
1-methyl-3-phenylquinoxalin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylquinoxalin-2-one is sourced from PubChem (CID 848834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).