1-(2-quinoxalin-2-ylphenyl)ethanone

C16H12N2O — CID 163871254

IUPAC1-(2-quinoxalin-2-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1-c1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O/c1-11(19)12-6-2-3-7-13(12)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,1H3
InChIKeyPKZVCQGRYZWGQF-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.50
Rot. Bonds2

About 1-(2-quinoxalin-2-ylphenyl)ethanone

1-(2-quinoxalin-2-ylphenyl)ethanone (PubChem CID 163871254) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-quinoxalin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-quinoxalin-2-ylphenyl)ethanone
PubChem CID163871254
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-(2-quinoxalin-2-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1-c1cnc2ccccc2n1
InChIInChI=1S/C16H12N2O/c1-11(19)12-6-2-3-7-13(12)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,1H3
InChIKeyPKZVCQGRYZWGQF-UHFFFAOYSA-N
XLogP3.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-quinoxalin-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-quinoxalin-2-ylphenyl)ethanone (CID 163871254) is 1-(2-quinoxalin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-quinoxalin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-quinoxalin-2-ylphenyl)ethanone is CC(=O)c1ccccc1-c1cnc2ccccc2n1.
What is the InChIKey of 1-(2-quinoxalin-2-ylphenyl)ethanone?
The InChIKey is PKZVCQGRYZWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-11(19)12-6-2-3-7-13(12)16-10-17-14-8-4-5-9-15(14)18-16/h2-10H,1H3.
What are the key properties of 1-(2-quinoxalin-2-ylphenyl)ethanone?
1-(2-quinoxalin-2-ylphenyl)ethanone has a molecular weight of 248.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinoxalin-2-ylphenyl)ethanone is sourced from PubChem (CID 163871254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).