| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17ClN2O2 |
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| Molecular Mass | 328.0979 |
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| SMILES | COc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1OC |
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| InChI Key | YBDZAZFYOISFGG-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 | haloquinolines |
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| Direct Parent | haloquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaryl chloridesazacyclic compoundsdimethoxybenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganochloridesorganopnictogen compoundsphenoxy compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetherpolyhalopyridineorganochloridealkyl aryl etherorganohalogen compoundhaloquinolinedimethoxybenzenearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chlorideazacycleheteroaromatic compoundmethylpyridinesecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearyl halidepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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