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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:53 UTC
Update Date2025-03-25 00:59:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239844
Frequency0.5
Structure
Chemical FormulaC13H11ClN2O
Molecular Mass246.056
SMILESO=C1CCC(c2ccnc3cc(Cl)ccc23)N1
InChI KeyHRNGHFLNRKDWTQ-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
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • haloquinoline
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • pyrrolidone
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound