Marvin  09240622432D          

 10 11  0  0  0  0            999 V2000
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
 10  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:36616

> <NAME>
quinoxaline

> <DEFINITION>
A naphthyridine in which the nitrogens are at positions 1 and 4.

> <STAR>
3

> <SYNONYM>
Chinoxalin; benzopyrazine; benzoparadiazine; benzo[a]pyrazine; 1,4-naphthyridine; 1,4-diazanaphthalene; 1,4-benzodiazine

> <IUPAC_NAME>
quinoxaline

> <FORMULA>
C8H6N2

> <MASS>
130.14672

> <MONOISOTOPIC_MASS>
130.05310

> <CHARGE>
0

> <SMILES>
c1ccc2nccnc2c1

> <INCHI>
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

> <INCHIKEY>
XSCHRSMBECNVNS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
91-19-0

> <GMELIN_REGISTRY_NUMBER>
82755

> <REAXYS_REGISTRY_NUMBER>
109351

> <CHEMIDPLUS>
91-19-0

> <KEGG_COMPOUND_ACCESSION>
C18575

> <NIST_CHEMISTRY_WEBBOOK>
91-19-0

> <WIKIPEDIA_ACCESSION>
Quinoxaline

> <PUBMED_CITATION>
16406213; 24328679; 24476762; 27349448

$$$$