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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:23 UTC
Update Date2025-03-25 00:50:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179395
Frequency0.5
Structure
Chemical FormulaC17H21N3O
Molecular Mass283.1685
SMILESCOc1ccc2nccc(C3CN4CCN(C)CC34)c2c1
InChI KeyASIWKYBSCVPVTC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azetidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-methylpiperazines
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • tertiary amine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methylpyridine
  • azetidine
  • pyridine
  • organic oxygen compound
  • anisole
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound