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

C13H13N3O — CID 117007213

IUPAC1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C2CC2)c2ccc(C#N)cc21
InChIInChI=1S/C13H13N3O/c1-15-12-6-9(7-14)2-5-11(12)16(8-13(15)17)10-3-4-10/h2,5-6,10H,3-4,8H2,1H3
InChIKeyWEIXDQPEQPVFQF-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.50
Rot. Bonds1

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

1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile (PubChem CID 117007213) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
PubChem CID117007213
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C2CC2)c2ccc(C#N)cc21
InChIInChI=1S/C13H13N3O/c1-15-12-6-9(7-14)2-5-11(12)16(8-13(15)17)10-3-4-10/h2,5-6,10H,3-4,8H2,1H3
InChIKeyWEIXDQPEQPVFQF-UHFFFAOYSA-N
XLogP1.50
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031393
1,5-dimethyl-2,4-dioxo-1,5-benzodiazepine-7-carbonitrile
CID 70656402
1-(2-cyanoethyl)-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117031604
1-methyl-2-oxo-4-propan-2-yl-3H-quinoxaline-6-carbonitrile
CID 117007080
4-(4-aminocyclohexyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
CID 117031054
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031386
4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007047
4-(3-amino-2-methylpropyl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031391
4-methyl-2-oxo-1-(2-sulfanylethyl)-3H-quinoxaline-6-carbonitrile
CID 117031575
1-ethyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007192
1-methyl-3-oxo-4-propan-2-yl-2H-quinoxaline-6-carbonitrile
CID 117007061

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The IUPAC name of 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile (CID 117007213) is 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The canonical SMILES for 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile is CN1C(=O)CN(C2CC2)c2ccc(C#N)cc21.
What is the InChIKey of 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
The InChIKey is WEIXDQPEQPVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-15-12-6-9(7-14)2-5-11(12)16(8-13(15)17)10-3-4-10/h2,5-6,10H,3-4,8H2,1H3.
What are the key properties of 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile?
1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117007213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).