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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:32 UTC
Update Date2025-03-25 00:52:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191057
Frequency0.5
Structure
Chemical FormulaC18H20N2O3
Molecular Mass312.1474
SMILESC=CC12CN(c3ccnc4cc(OC)c(OC)cc34)CCC1O2
InChI KeyNPNZWTVKRJUXDC-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
  • 1,4-oxazepines
  • 2-halopyridines
  • alkyl aryl ethers
  • aminopyridines and derivatives
  • anisoles
  • azacyclic compounds
  • dialkyl ethers
  • dialkylarylamines
  • epoxides
  • epoxypiperidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • polyhalopyridines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • dialkyl ether
  • epoxypiperidine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • piperidine
  • aminopyridine
  • tertiary amine
  • 4-aminoquinoline
  • azacycle
  • heteroaromatic compound
  • oxirane
  • methylpyridine
  • para-oxazepine
  • oxacycle
  • pyridine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound