4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile

C12H13N3O — CID 117007059

IUPAC4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
SMILESCCN1C(=O)CN(C)c2ccc(C#N)cc21
InChIInChI=1S/C12H13N3O/c1-3-15-11-6-9(7-13)4-5-10(11)14(2)8-12(15)16/h4-6H,3,8H2,1-2H3
InChIKeyZZRINNTXXNIIIF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.36
Rot. Bonds1

About 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile

4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile (PubChem CID 117007059) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
PubChem CID117007059
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
SMILESCCN1C(=O)CN(C)c2ccc(C#N)cc21
InChIInChI=1S/C12H13N3O/c1-3-15-11-6-9(7-13)4-5-10(11)14(2)8-12(15)16/h4-6H,3,8H2,1-2H3
InChIKeyZZRINNTXXNIIIF-UHFFFAOYSA-N
XLogP1.36
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile (CID 117007059) is 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile is CCN1C(=O)CN(C)c2ccc(C#N)cc21.
What is the InChIKey of 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The InChIKey is ZZRINNTXXNIIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-15-11-6-9(7-13)4-5-10(11)14(2)8-12(15)16/h4-6H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).