Ketcher 06232010292D 1   1.00000     0.00000     0

 11 12  0     0  0            999 V2000
    9.8370   -4.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8330   -5.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7070   -4.1111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9755   -4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6987   -6.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9755   -6.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5727   -4.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -4.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5686   -5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6945   -7.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056   -5.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  2  0     0  0
  7  9  2  0     0  0
  8 11  1  0     0  0
M  END
> <ID>
CHEBI:155900

> <NAME>
4-quinolone

> <DEFINITION>
A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4.

> <STAR>
3

> <SYNONYM>
4(1H)-quinolinone; 1H-quinolin-4-one; 1,4-dihydroquinolin-4-one

> <IUPAC_NAME>
quinolin-4(1H)-one

> <FORMULA>
C9H7NO

> <MASS>
145.161

> <MONOISOTOPIC_MASS>
145.05276

> <CHARGE>
0

> <SMILES>
C12=C(C(C=CN1)=O)C=CC=C2

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

> <INCHIKEY>
PMZDQRJGMBOQBF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
529-37-3

> <WIKIPEDIA_ACCESSION>
4-Quinolone

> <PUBMED_CITATION>
7840594; 7884804

$$$$