2-[(2-oxo-3,4-dihydro-1h-quinolin-5-yl)oxy]acetic acid (CED0160546)

Record Information
Version1.0
Creation Date2026-08-18 08:28:30 UTC
Update Date2026-08-18 08:28:30 UTC
Accession NumberCHEM154801
Identification
Common Name2-[(2-oxo-3,4-dihydro-1h-quinolin-5-yl)oxy]acetic acid
ClassSmall Molecule
Description
2-[(2-oxo-3,4-dihydro-1h-quinolin-5-yl)oxy]acetic acid is an organic compound with the formula C11H11NO4 and an average molecular weight of 221.21 g/mol. 2-[(2-oxo-3,4-dihydro-1h-quinolin-5-yl)oxy]acetic acid belongs to the quinolones and derivatives, a subclass of quinolines and derivatives within the organic compounds. This substance is found in or released from two recorded sources, which include household cleaning and consumer products such as soap dispensers and pipe accessories.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H11NO4
Average Molecular Mass221.210 g/mol
Monoisotopic Mass221.069 g/mol
CAS Registry Number58898-50-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C11H11NO4/c13-10-5-4-7-8(12-10)2-1-3-9(7)16-6-11(14)15/h1-3H,4-6H2,(H,12,13)(H,14,15)
InChI KeyCYPKANIKIWLVMF-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2351.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Phospholipase A2 structureClick to view 3D structurePhospholipase A2P04054HumansPredicted (SEA)12.6894
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)38.3797
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)16.4262
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)39.236
Prostacyclin receptor structureClick to view 3D structureProstacyclin receptorP43119HumansPredicted (SEA)29.6606
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)1822.45
Click to view 3D structurePhospholipase A2, membrane associatedP31482Mus musculusPredicted (SEA)9.03051
Click to view 3D structurePhospholipase A2 group VP39877HumansPredicted (SEA)10.821
Group 10 secretory phospholipase A2 structureClick to view 3D structureGroup 10 secretory phospholipase A2O15496HumansPredicted (SEA)12.923
Click to view 3D structurePhospholipase A2 group VP97391Mus musculusPredicted (SEA)6.53933
Click to view 3D structureGroup 10 secretory phospholipase A2Q9QXX3Mus musculusPredicted (SEA)5.99439
Click to view 3D structureGroup IIE secretory phospholipase A2Q9QUL3Mus musculusPredicted (SEA)4.9045
Click to view 3D structurePhospholipase A2Q9Z0Y2Mus musculusPredicted (SEA)4.9045
Group IIE secretory phospholipase A2 structureClick to view 3D structureGroup IIE secretory phospholipase A2Q9NZK7HumansPredicted (SEA)4.9045
Click to view 3D structureGroup IIF secretory phospholipase A2Q9BZM2HumansPredicted (SEA)6.77288
Click to view 3D structureGroup IIF secretory phospholipase A2Q9QZT4Mus musculusPredicted (SEA)6.77288
Click to view 3D structureGroup IID secretory phospholipase A2Q9WVF6Mus musculusPredicted (SEA)6.77288
Click to view 3D structureGroup IIC secretory phospholipase A2P48076Mus musculusPredicted (SEA)5.44945
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)583.091
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansPredicted (SEA)105.408
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)984.248
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)86.5683
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)405.283
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)110.702
Click to view 3D structureD-beta-D-heptose 7-phosphate kinaseB4EB35Burkholderia cepacia (strain J2315 / LMG 16656) (Burkholderiacenocepacia (strain J2315))Predicted (SEA)15.2584
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available