1-phenyl-2-quinoxalin-2-ylethanone

C16H12N2O — CID 571236

IUPAC1-phenyl-2-quinoxalin-2-ylethanone
SMILESO=C(Cc1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)10-13-11-17-14-8-4-5-9-15(14)18-13/h1-9,11H,10H2
InChIKeySVDCSMOJGNIGMS-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.06
Rot. Bonds3

About 1-phenyl-2-quinoxalin-2-ylethanone

1-phenyl-2-quinoxalin-2-ylethanone (PubChem CID 571236) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-phenyl-2-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-quinoxalin-2-ylethanone
PubChem CID571236
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1-phenyl-2-quinoxalin-2-ylethanone
SMILESO=C(Cc1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)10-13-11-17-14-8-4-5-9-15(14)18-13/h1-9,11H,10H2
InChIKeySVDCSMOJGNIGMS-UHFFFAOYSA-N
XLogP3.06
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-quinoxalin-2-ylethanone?
The IUPAC name of 1-phenyl-2-quinoxalin-2-ylethanone (CID 571236) is 1-phenyl-2-quinoxalin-2-ylethanone.
What is the SMILES notation for 1-phenyl-2-quinoxalin-2-ylethanone?
The canonical SMILES for 1-phenyl-2-quinoxalin-2-ylethanone is O=C(Cc1cnc2ccccc2n1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-quinoxalin-2-ylethanone?
The InChIKey is SVDCSMOJGNIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)10-13-11-17-14-8-4-5-9-15(14)18-13/h1-9,11H,10H2.
What are the key properties of 1-phenyl-2-quinoxalin-2-ylethanone?
1-phenyl-2-quinoxalin-2-ylethanone has a molecular weight of 248.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-quinoxalin-2-ylethanone is sourced from PubChem (CID 571236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).