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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:41 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177805
Frequency0.5
Structure
Chemical FormulaC16H17ClN2
Molecular Mass272.108
SMILESCNC1CCC(c2cccc(Cl)c2)c2ncccc21
InChI KeyBKBAIMFYRXYZGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass phenylquinolines
Direct Parent phenylquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • monocyclic benzene moiety
  • phenylquinoline
  • polyhalopyridine
  • organochloride
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • aryl chloride
  • chlorobenzene
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • aryl halide
  • pyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine