| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:17 UTC |
|---|
| Update Date | 2025-03-25 00:56:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218169 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H15N3 |
|---|
| Molecular Mass | 249.1266 |
|---|
| SMILES | N#Cc1ccc2c(C3CN4CCCC34)ccnc2c1 |
|---|
| InChI Key | VNYXCLOLDLEJRE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | quinolines and derivatives |
|---|
| Direct Parent | quinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundsazepanesazetidinesbenzenoidsheteroaromatic compoundshydrocarbon derivativesn-alkylpyrrolidinesnitrilesorganopnictogen compoundspolyhalopyridinespyridines and derivativestrialkylamines |
|---|
| Substituents | nitrileazacyclen-alkylpyrrolidinepolyhalopyridineheteroaromatic compoundtertiary aliphatic amineazetidinepyridineazepanearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyrrolidineaminecarbonitriletertiary amine |
|---|
