4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

C11H11N3O — CID 104716038

IUPAC4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESCCN1CC(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C11H11N3O/c1-2-14-7-11(15)13-9-4-3-8(6-12)5-10(9)14/h3-5H,2,7H2,1H3,(H,13,15)
InChIKeyJLMYXMGKLCXROD-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.34
Rot. Bonds1

About 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile

4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (PubChem CID 104716038) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
PubChem CID104716038
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
SMILESCCN1CC(=O)Nc2ccc(C#N)cc21
InChIInChI=1S/C11H11N3O/c1-2-14-7-11(15)13-9-4-3-8(6-12)5-10(9)14/h3-5H,2,7H2,1H3,(H,13,15)
InChIKeyJLMYXMGKLCXROD-UHFFFAOYSA-N
XLogP1.34
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The IUPAC name of 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile (CID 104716038) is 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile.
What is the SMILES notation for 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The canonical SMILES for 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is CCN1CC(=O)Nc2ccc(C#N)cc21.
What is the InChIKey of 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
The InChIKey is JLMYXMGKLCXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-14-7-11(15)13-9-4-3-8(6-12)5-10(9)14/h3-5H,2,7H2,1H3,(H,13,15).
What are the key properties of 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile?
4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile is sourced from PubChem (CID 104716038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).