Marvin  04040811262D          

 11 12  0  0  0  0            999 V2000
   -0.3763    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8052    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027    0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    0.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420    0.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0527    1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    2.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7697    0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
 10  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:20140

> <NAME>
3-methylquinoline

> <STAR>
3

> <SYNONYM>
3-methylquinoline; 3-Methyl-1-benzazine

> <IUPAC_NAME>
3-methylquinoline

> <FORMULA>
C10H9N

> <MASS>
143.18520

> <MONOISOTOPIC_MASS>
143.07350

> <CHARGE>
0

> <SMILES>
Cc1cnc2ccccc2c1

> <INCHI>
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

> <INCHIKEY>
DTBDAFLSBDGPEA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
110325

> <CAS_REGISTRY_NUMBER>
612-58-8

> <CHEMIDPLUS>
612-58-8

> <NIST_CHEMISTRY_WEBBOOK>
612-58-8

$$$$