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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:25 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206742
Frequency0.5
Structure
Chemical FormulaC15H16ClN3O2
Molecular Mass305.0931
SMILESO=C(CO)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChI KeyLVEDJSMMAWXGSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4-aminoquinolines
  • alcohols and polyols
  • amino acids and derivatives
  • aminopyridines and derivatives
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • haloquinolines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-arylpiperazines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • haloquinoline
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • aryl chloride
  • alcohol
  • 4-aminoquinoline
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • aryl halide
  • pyridine
  • organic oxygen compound
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound