| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:46 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226118 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N3O2 |
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| Molecular Mass | 229.0851 |
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| SMILES | CC(=O)NC1CC(=O)Nc2ccc(C#N)cc21 |
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| InChI Key | GCBZEUSIZSZDJU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroquinolineslactamsnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | tetrahydroquinolonecarbonyl groupnitrilelactamazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtetrahydroquinolinecarbonitrileacetamideorganooxygen compound |
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