3-benzyl-1H-quinoxalin-2-one

C15H12N2O — CID 659725

IUPAC3-benzyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-14(10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18)
InChIKeyXEVRCXXOIPCZGJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds2

About 3-benzyl-1H-quinoxalin-2-one

3-benzyl-1H-quinoxalin-2-one (PubChem CID 659725) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-benzyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-benzyl-1H-quinoxalin-2-one
PubChem CID659725
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-benzyl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15-14(10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18)
InChIKeyXEVRCXXOIPCZGJ-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-quinoxalin-2-one?
The IUPAC name of 3-benzyl-1H-quinoxalin-2-one (CID 659725) is 3-benzyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-benzyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-benzyl-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-quinoxalin-2-one?
The InChIKey is XEVRCXXOIPCZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-14(10-11-6-2-1-3-7-11)16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,17,18).
What are the key properties of 3-benzyl-1H-quinoxalin-2-one?
3-benzyl-1H-quinoxalin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-quinoxalin-2-one is sourced from PubChem (CID 659725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).