ethyl 6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
CNP0333026.0 · C13H13NO4 · View on COCONUT ↗
Identifiers
| Name | ethyl 6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate |
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| IUPAC Name | ethyl 6-methoxy-2-oxo-1~{H}-quinoline-4-carboxylate |
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| COCONUT ID | CNP0333026.0 |
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| CAS | 93257-70-6 |
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| InChIKey | PNBJBGMPLMTKFP-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H13NO4/c1-3-18-13(16)10-7-12(15)14-11-5-4-8(17-2)6-9(10)11/h4-7H,3H2,1-2H3,(H,14,15) |
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| SMILES | CCOC(=O)C1=CC(=O)NC2=CC=C(OC)C=C12 |
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Properties
| Molecular Formula | C13H13NO4 |
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| Molecular Weight | 247.25 |
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| Exact Mass | 247.08446 |
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| Log P (ALogP) | 1.71 |
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| TPSA | 68.39 |
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| H-Bond Donors / Acceptors | 1 / 4 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.84 |
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| NP-likeness | -0.54 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Tryptophan alkaloids |
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| NP Class | Quinoline alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Quinolines and derivatives |
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| Chemical Subclass | Quinolones and derivatives |
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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.
