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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:55 UTC
Update Date2025-03-25 00:50:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178365
Frequency0.5
Structure
Chemical FormulaC15H12ClN3
Molecular Mass269.072
SMILESClc1ccc2c(NCc3cccnc3)ccnc2c1
InChI KeyHTKYTTOHZZKYFJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass haloquinolines
Direct Parent haloquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • secondary alkylarylamines
    • Substituents
  • aryl chloride
  • azacycle
  • polyhalopyridine
  • organochloride
  • heteroaromatic compound
  • secondary amine
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • haloquinoline
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • amine