2-benzyl-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one (CED0303968)

Record Information
Version1.0
Creation Date2026-08-31 20:43:45 UTC
Update Date2026-08-31 20:43:45 UTC
Accession NumberCHEM349579
Identification
Common Name2-benzyl-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one
ClassSmall Molecule
Description
2-benzyl-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one is a chemical compound with the formula C35H35FN4O5. With an average molecular weight of 610.70 g/mol, 2-benzyl-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one is a heavy molecule. This substance has been identified in or released from four recorded sources. These sources include electrical and electronic equipment, specifically antennas and video games, as well as building and construction materials such as roofs. Additionally, it is found in household cleaning and consumer products, specifically within other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC35H35FN4O5
Average Molecular MassNot Available
Monoisotopic Mass610.259 g/mol
CAS Registry Number890019-46-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN1C(=NC=C(C1=O)C2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OCCCN5CCOCC5)OC)F)CC6=CC=CC=C6
InChI IdentifierInChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
InChI KeyPEGWVOKOYYAQEV-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
2391.0Log mg/kg[1300:4300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
499RoofsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)0.934191
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)1.79053
Macrophage-stimulating protein receptor structureClick to view 3D structureMacrophage-stimulating protein receptorQ04912HumansPredicted (SEA)0.311397
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)3.89246
Angiopoietin-1 receptor structureClick to view 3D structureAngiopoietin-1 receptorQ02763HumansPredicted (SEA)0.778492
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)11.6774
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)2.72472
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)8.64126
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)7.23998
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)3.97031
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)6.38364
Tyrosine-protein kinase ZAP-70 structureClick to view 3D structureTyrosine-protein kinase ZAP-70P43403HumansPredicted (SEA)0.467095
Ribosomal protein S6 kinase beta-1 structureClick to view 3D structureRibosomal protein S6 kinase beta-1P23443HumansPredicted (SEA)3.11397
Fibroblast growth factor receptor 2 structureClick to view 3D structureFibroblast growth factor receptor 2P21802HumansPredicted (SEA)3.65891
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)10.5096
Hepatocyte growth factor structureClick to view 3D structureHepatocyte growth factorP14210HumansPredicted (SEA)0.0778492
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)22.8098
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)51.8476
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)78.1606
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)51.1469
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)29.972
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)82.9873
Click to view 3D structureMitogen-activated protein kinase kinase kinase kinase 5Q9Y4K4HumansPredicted (SEA)22.732
Serine/threonine-protein kinase 10 structureClick to view 3D structureSerine/threonine-protein kinase 10O94804HumansPredicted (SEA)6.85073
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)40.3259
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available