1,3-diethylquinoxalin-2-one

C12H14N2O — CID 664952

IUPAC1,3-diethylquinoxalin-2-one
SMILESCCc1nc2ccccc2n(CC)c1=O
InChIInChI=1S/C12H14N2O/c1-3-9-12(15)14(4-2)11-8-6-5-7-10(11)13-9/h5-8H,3-4H2,1-2H3
InChIKeySLYUSZRGTBDUIA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.98
Rot. Bonds2

About 1,3-diethylquinoxalin-2-one

1,3-diethylquinoxalin-2-one (PubChem CID 664952) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,3-diethylquinoxalin-2-one.

Molecular Properties

Compound Name1,3-diethylquinoxalin-2-one
PubChem CID664952
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,3-diethylquinoxalin-2-one
SMILESCCc1nc2ccccc2n(CC)c1=O
InChIInChI=1S/C12H14N2O/c1-3-9-12(15)14(4-2)11-8-6-5-7-10(11)13-9/h5-8H,3-4H2,1-2H3
InChIKeySLYUSZRGTBDUIA-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylquinoxalin-2-one?
The IUPAC name of 1,3-diethylquinoxalin-2-one (CID 664952) is 1,3-diethylquinoxalin-2-one.
What is the SMILES notation for 1,3-diethylquinoxalin-2-one?
The canonical SMILES for 1,3-diethylquinoxalin-2-one is CCc1nc2ccccc2n(CC)c1=O.
What is the InChIKey of 1,3-diethylquinoxalin-2-one?
The InChIKey is SLYUSZRGTBDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-12(15)14(4-2)11-8-6-5-7-10(11)13-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylquinoxalin-2-one?
1,3-diethylquinoxalin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylquinoxalin-2-one is sourced from PubChem (CID 664952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).