2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile

C10H6N4O — CID 117031304

IUPAC2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)N(C#N)C(=O)CN2
InChIInChI=1S/C10H6N4O/c11-4-7-1-2-8-9(3-7)14(6-12)10(15)5-13-8/h1-3,13H,5H2
InChIKeyUBXXESNBFUCVDD-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.80
Rot. Bonds

About 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile

2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile (PubChem CID 117031304) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile.

Molecular Properties

Compound Name2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile
PubChem CID117031304
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile
SMILESN#Cc1ccc2c(c1)N(C#N)C(=O)CN2
InChIInChI=1S/C10H6N4O/c11-4-7-1-2-8-9(3-7)14(6-12)10(15)5-13-8/h1-3,13H,5H2
InChIKeyUBXXESNBFUCVDD-UHFFFAOYSA-N
XLogP0.80
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-oxo-4-(4-oxocyclohexyl)-1,2-dihydroquinoxaline-6-carbonitrile
CID 117031312
4-(2-methylpropyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007008
4-(3-bromophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007035
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
4-(3-methylbutyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007024
4-(3-fluorophenyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007033
3-(7-cyano-2-oxo-3,4-dihydroquinoxalin-1-yl)butanoic acid
CID 117031298
3,3,5-trimethyl-4-oxo-1,2-dihydro-1,5-benzodiazepine-7-carbonitrile
CID 84625872
1-(2-hydroxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 117031491
2,5-dioxo-3,4-dihydro-1,4-benzodiazepine-1-carbonitrile
CID 170859701
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
4-phenyl-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 117007124

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile?
The IUPAC name of 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile (CID 117031304) is 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile.
What is the SMILES notation for 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile?
The canonical SMILES for 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile is N#Cc1ccc2c(c1)N(C#N)C(=O)CN2.
What is the InChIKey of 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile?
The InChIKey is UBXXESNBFUCVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c11-4-7-1-2-8-9(3-7)14(6-12)10(15)5-13-8/h1-3,13H,5H2.
What are the key properties of 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile?
2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile has a molecular weight of 198.19 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydroquinoxaline-1,7-dicarbonitrile is sourced from PubChem (CID 117031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).