EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52045 - 2-oxo-1,2-dihydroquinoline-4-carboxylic acid

ChEBI IDCHEBI:52045
ChEBI Name2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Stars
Last Modified9 July 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H7NO3
Net Charge0
Average Mass189.170
Monoisotopic Mass189.04259
SMILESO=C(O)c1cc(=O)nc2ccccc12
InChIInChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChIKeyMFSHNFBQNVGXJX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubus chingii (ncbitaxon:714495) fruit (BTO:0000486) PubMed (21747716)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2-oxo-1,2-dihydroquinoline-4-carboxylic acid (CHEBI:52045) has role plant metabolite (CHEBI:76924)
2-oxo-1,2-dihydroquinoline-4-carboxylic acid (CHEBI:52045) is a quinolinemonocarboxylic acid (CHEBI:26512)
2-oxo-1,2-dihydroquinoline-4-carboxylic acid (CHEBI:52045) is conjugate acid of 2-oxo-1,2-dihydroquinoline-4-carboxylate (CHEBI:58878)
Incoming Relation(s)
2-oxo-1,2-dihydroquinoline-4-carboxylate (CHEBI:58878) is conjugate base of 2-oxo-1,2-dihydroquinoline-4-carboxylic acid (CHEBI:52045)
IUPAC Name 
2-oxo-1,2-dihydroquinoline-4-carboxylic acid
Synonym  Source
2-oxocinchoninic acidChEBI
Manual XrefsDatabases
C16715KEGG COMPOUND
Registry NumbersSources
Beilstein:154678Beilstein
CAS:15733-89-8ChEBI
Citations