ChEBI
  Marvin  05080614042D          

 11 12  0  0  0  0            999 V2000
   11.3846   -6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812   -7.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1016   -5.8893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6746   -5.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947   -7.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6746   -7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8152   -6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9577   -6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8117   -7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9577   -7.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5286   -5.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:18289

> <NAME>
quinolin-2(1H)-one

> <DEFINITION>
A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44584; CHEBI:850; CHEBI:15002; CHEBI:26500

> <SYNONYM>
quinolin-2(1H)-one; QUINOLIN-2(1H)-ONE; Quinolin-2(1H)-one; o-Aminocinnamic acid lactam; Carbostyril; alpha-Quinolone; 2-quinolone; 2(1H)-Quinolinone

> <IUPAC_NAME>
quinolin-2(1H)-one

> <FORMULA>
C9H7NO

> <MASS>
145.15802

> <MONOISOTOPIC_MASS>
145.05276

> <CHARGE>
0

> <SMILES>
O=c1ccc2ccccc2[nH]1

> <INCHI>
InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)

> <INCHIKEY>
LISFMEBWQUVKPJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
59-31-4

> <REAXYS_REGISTRY_NUMBER>
2855

> <KEGG_COMPOUND_ACCESSION>
C06415

> <NIST_CHEMISTRY_WEBBOOK>
59-31-4

> <PDBECHEM_ACCESSION>
OCH

> <PUBMED_CITATION>
23689721

$$$$