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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:12 UTC
Update Date2025-03-25 00:51:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188086
Frequency0.5
Structure
Chemical FormulaC14H16ClN3O
Molecular Mass277.0982
SMILESCC(=O)NCCCNc1ccnc2c(Cl)cccc12
InChI KeyCONRANIJSFHZRQ-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
  • acetamides
  • amino acids and derivatives
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alkylarylamines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • haloquinoline
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • acetamide
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • aryl halide
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound