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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:55 UTC
Update Date2025-03-21 18:39:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126867
Frequency20.2
Structure
Chemical FormulaC16H18ClN3O2
Molecular Mass319.1088
SMILESCCOC(=O)N1CCC(=C2NC=Nc3cc(Cl)ccc32)CC1
InChI KeyFQPKTMIKEJLUIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinazolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbamate esters
  • carbonyl compounds
  • diazanaphthalenes
  • formamidines
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • organochloride
  • amidine
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • aryl chloride
  • carbonic acid derivative
  • azacycle
  • carbamic acid ester
  • organic 1,3-dipolar compound
  • aryl halide
  • formamidine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • quinazoline
  • organooxygen compound