1-benzyl-3-methylquinoxalin-2-one

C16H14N2O — CID 1216297

IUPAC1-benzyl-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N2O/c1-12-16(19)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17-12/h2-10H,11H2,1H3
InChIKeyFJLBBMABBOQQAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.75
Rot. Bonds2

About 1-benzyl-3-methylquinoxalin-2-one

1-benzyl-3-methylquinoxalin-2-one (PubChem CID 1216297) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-benzyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methylquinoxalin-2-one
PubChem CID1216297
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-benzyl-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H14N2O/c1-12-16(19)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17-12/h2-10H,11H2,1H3
InChIKeyFJLBBMABBOQQAJ-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylquinoxalin-2-one?
The IUPAC name of 1-benzyl-3-methylquinoxalin-2-one (CID 1216297) is 1-benzyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-methylquinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methylquinoxalin-2-one?
The InChIKey is FJLBBMABBOQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-16(19)18(11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)17-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-3-methylquinoxalin-2-one?
1-benzyl-3-methylquinoxalin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 1216297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).