4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

C13H14N4O — CID 117031393

IUPAC4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C2CNC2)c2cc(C#N)ccc21
InChIInChI=1S/C13H14N4O/c1-16-11-3-2-9(5-14)4-12(11)17(8-13(16)18)10-6-15-7-10/h2-4,10,15H,6-8H2,1H3
InChIKeyIGIKZILTWHCZIU-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.31
Rot. Bonds1

About 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (PubChem CID 117031393) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
PubChem CID117031393
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C2CNC2)c2cc(C#N)ccc21
InChIInChI=1S/C13H14N4O/c1-16-11-3-2-9(5-14)4-12(11)17(8-13(16)18)10-6-15-7-10/h2-4,10,15H,6-8H2,1H3
InChIKeyIGIKZILTWHCZIU-UHFFFAOYSA-N
XLogP0.31
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007213
1,5-dimethyl-2,4-dioxo-1,5-benzodiazepine-7-carbonitrile
CID 70656402
1-methyl-2-oxo-4-propan-2-yl-3H-quinoxaline-6-carbonitrile
CID 117007080
1-(2-cyanoethyl)-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117031604
6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
CID 84635970
4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031386
4-(3-amino-2-methylpropyl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031391
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
5-(2-aminoethyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-7-carbonitrile
CID 84631294
4-methyl-2-oxo-1-(2-sulfanylethyl)-3H-quinoxaline-6-carbonitrile
CID 117031575
4-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007047
1-ethyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007192

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (CID 117031393) is 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is CN1C(=O)CN(C2CNC2)c2cc(C#N)ccc21.
What is the InChIKey of 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The InChIKey is IGIKZILTWHCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-11-3-2-9(5-14)4-12(11)17(8-13(16)18)10-6-15-7-10/h2-4,10,15H,6-8H2,1H3.
What are the key properties of 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117031393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).