| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:44 UTC |
|---|
| Update Date | 2025-03-21 18:07:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068716 |
|---|
| Frequency | 44.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H21ClN2O2 |
|---|
| Molecular Mass | 368.1292 |
|---|
| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3Cc3cccnc32)CC1 |
|---|
| InChI Key | APNQELBKNPGNTL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | benzoquinolines |
|---|
| Direct Parent | benzoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnaphthalenesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
|---|
| Substituents | carbonyl grouppolyhalopyridineorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinebenzoquinolinearyl halidepyridinenaphthaleneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
