CHEBI:84199 - quinmerac

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quinmerac
ChEBI ID CHEBI:84199
Definition A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jens Wiebensohn
Jens Wiebensohn
Secondary ChEBI IDs CHEBI:84200, CHEBI:82039
Supplier Information
Download Molfile XML SDF
Formula C11H8ClNO2
Net Charge 0
Average Mass 221.64000
Monoisotopic Mass 221.024
InChI InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
InChIKey ALZOLUNSQWINIR-UHFFFAOYSA-N
SMILES Cc1cnc2c(C(O)=O)c(Cl)ccc2c1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing quinmerac (CHEBI:84199) has role environmental contaminant (CHEBI:78298)
quinmerac (CHEBI:84199) has role herbicide (CHEBI:24527)
quinmerac (CHEBI:84199) has role synthetic auxin (CHEBI:26841)
quinmerac (CHEBI:84199) is a organochlorine compound (CHEBI:36683)
quinmerac (CHEBI:84199) is a quinolinemonocarboxylic acid (CHEBI:26512)
IUPAC Name
7-chloro-3-methylquinoline-8-carboxylic acid
Synonyms Sources
7-Chloro-3-methyl-8-quinolinecarboxylic acid ChemIDplus
BAS 518 ChemIDplus
Manual Xrefs Databases
578 PPDB
C18891 KEGG COMPOUND
EP0445420 Patent
EP2272349 Patent
quinmerac Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
8392904 Reaxys Registry Number Reaxys
90717-03-6 CAS Registry Number KEGG COMPOUND
90717-03-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11080318 PubMed citation Europe PMC
11520869 PubMed citation Europe PMC
11871567 PubMed citation Europe PMC
25551708 PubMed citation Europe PMC
Last Modified
14 January 2015