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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:43 UTC
Update Date2025-03-25 00:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230333
Frequency0.5
Structure
Chemical FormulaC14H19N3
Molecular Mass229.1579
SMILESCN(C)CCN(C)c1ccnc2ccccc12
InChI KeyHSHDEKOKCTTXII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass aminoquinolines and derivatives
Direct Parent 4-aminoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminopyridines and derivatives
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
  • Substituents
  • 4-aminoquinoline
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • pyridine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • aminopyridine
  • tertiary amine