DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:29 UTC
Update Date	2025-03-21 18:01:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034896
Frequency	102.7
Structure
Chemical Formula	C₁₈H₂₁FN₄O₃
Molecular Mass	360.1598
SMILES	CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(N)=O)cn1c23
InChI Key	NVAKATVWWWTCFM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinoline carboxamides
Direct Parent	quinoline-3-carboxamides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alkyl aryl ethers amino acids and derivatives aminoquinolines and derivatives aryl fluorides azacyclic compounds benzenoids benzoxazines carboxylic acids and derivatives dialkylarylamines fluoroquinolones haloquinolines heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones methylpyridines n-arylpiperazines n-methylpiperazines organic oxides organofluorides organopnictogen compounds oxacyclic compounds polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives trialkylamines vinylogous amides
Substituents	aryl fluoride primary carboxylic acid amide pyridine carboxylic acid or derivatives ether amino acid or derivatives polyhalopyridine alkyl aryl ether carboxylic acid derivative organohalogen compound haloquinoline organic oxide piperazine aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound fluoroquinolone 2-halopyridine dialkylarylamine tertiary amine vinylogous amide azacycle organofluoride n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine dihydroquinoline n-methylpiperazine benzoxazine methylpyridine carboxamide group aryl halide oxacycle dihydroquinolone pyridine organic oxygen compound 1,4-diazinane aminoquinoline hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound quinoline-3-carboxamide

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