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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:14 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154037
Frequency0.5
Structure
Chemical FormulaC21H21N3O2
Molecular Mass347.1634
SMILESCOc1ccc2nccc(NCCc3c[nH]c4ccc(OC)cc34)c2c1
InChI KeyVFFNBBZNNXFGKR-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
  • pyrroles
  • secondary alkylarylamines
    • Substituents
  • phenol ether
  • ether
  • indole
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • heteroaromatic compound
  • indole or derivatives
  • methylpyridine
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyridine
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound