| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:18 UTC |
|---|
| Update Date | 2025-03-25 00:56:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218202 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13N3O |
|---|
| Molecular Mass | 215.1059 |
|---|
| SMILES | Cc1cc2ncc(C(N)=O)c(N)c2cc1C |
|---|
| InChI Key | IYWWRTJTQNKQEP-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-halopyridinesamino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidespyridinecarboxylic acids and derivativesquinolines and derivativesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesamino acid or derivativespolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide grouppyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compoundquinoline-3-carboxamide |
|---|
