4-carboethoxy-6-hydroxy-2-quinolone
CNP0611067.0 · C12H11NO4 · View on COCONUT ↗
Identifiers
| Name | 4-carboethoxy-6-hydroxy-2-quinolone |
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| IUPAC Name | ethyl 6-hydroxy-2-oxo-1H-quinoline-4-carboxylate |
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| COCONUT ID | CNP0611067.0 |
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| InChIKey | JUIAGYWZMGGONG-UHFFFAOYSA-N |
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| InChI | InChI=1S/C12H11NO4/c1-2-17-12(16)9-6-11(15)13-10-4-3-7(14)5-8(9)10/h3-6,14H,2H2,1H3,(H,13,15) |
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| SMILES | CCOC(=O)C1=CC(O)=NC2=CC=C(O)C=C12 |
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Properties
| Molecular Formula | C12H11NO4 |
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| Molecular Weight | 233.22 |
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| Exact Mass | 233.06881 |
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| Log P (ALogP) | 1.82 |
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| TPSA | 79.65 |
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| H-Bond Donors / Acceptors | 2 / 5 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.77 |
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| NP-likeness | -0.54 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Anthranilic acid alkaloids |
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| NP Class | |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
