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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230542
Frequency0.5
Structure
Chemical FormulaC18H19N3
Molecular Mass277.1579
SMILESCN1CCN(c2ccnc3ccc4ccccc4c23)CC1
InChI KeyBPBMYSLGNFQNPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass benzoquinolines
Direct Parent benzoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4-aminoquinolines
  • aminopyridines and derivatives
  • azacyclic compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-arylpiperazines
  • n-methylpiperazines
  • naphthalenes
  • organopnictogen compounds
  • polyhalopyridines
  • pyridinylpiperazines
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • piperazine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • 4-aminoquinoline
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • benzoquinoline
  • methylpyridine
  • pyridine
  • naphthalene
  • 1,4-diazinane
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine