1-quinoxalin-2-ylethanone

C10H8N2O — CID 11105814

IUPAC1-quinoxalin-2-ylethanone
SMILESCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKeySWGILLQQUULMJB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.83
Rot. Bonds1

About 1-quinoxalin-2-ylethanone

1-quinoxalin-2-ylethanone (PubChem CID 11105814) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name1-quinoxalin-2-ylethanone
PubChem CID11105814
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-quinoxalin-2-ylethanone
SMILESCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKeySWGILLQQUULMJB-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylethanone?
The IUPAC name of 1-quinoxalin-2-ylethanone (CID 11105814) is 1-quinoxalin-2-ylethanone.
What is the SMILES notation for 1-quinoxalin-2-ylethanone?
The canonical SMILES for 1-quinoxalin-2-ylethanone is CC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylethanone?
The InChIKey is SWGILLQQUULMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3.
What are the key properties of 1-quinoxalin-2-ylethanone?
1-quinoxalin-2-ylethanone has a molecular weight of 172.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylethanone is sourced from PubChem (CID 11105814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).