3-ethyl-1H-quinoxalin-2-one

C10H10N2O — CID 599963

IUPAC3-ethyl-1H-quinoxalin-2-one
SMILESCCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C10H10N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3,(H,12,13)
InChIKeyDZBGIZOIMSCJLV-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.49
Rot. Bonds1

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

3-ethyl-1H-quinoxalin-2-one (PubChem CID 599963) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-ethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-1H-quinoxalin-2-one
PubChem CID599963
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-ethyl-1H-quinoxalin-2-one
SMILESCCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C10H10N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3,(H,12,13)
InChIKeyDZBGIZOIMSCJLV-UHFFFAOYSA-N
XLogP1.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-1H-quinoxalin-2-one (CID 599963) is 3-ethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-1H-quinoxalin-2-one is CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-ethyl-1H-quinoxalin-2-one?
The InChIKey is DZBGIZOIMSCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-1H-quinoxalin-2-one?
3-ethyl-1H-quinoxalin-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 599963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).