Ethyl 2-hydroxyquinoline-4-carboxylate
PubChem CID: 160782
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| Compound Synonyms | ethyl 2-hydroxyquinoline-4-carboxylate, 5466-27-3, 4-Ethoxycarbonyl-2-quinolone, ethyl 2-oxo-1H-quinoline-4-carboxylate, Ethyl 2-oxo-1,2-dihydroquinoline-4-carboxylate, 4-Quinolinecarboxylic acid, 2-hydroxy-, ethyl ester, NSC25661, MFCD02041443, Ethyl 2-oxo-1,2-dihydro-4-quinolinecarboxylate, Oprea1_546855, MLS000715521, 4-ethoxycarbonyl-2-quinolinone, CHEMBL1561047, SCHEMBL17827014, DTXSID00203115, WTHATVQLTWYSCI-UHFFFAOYSA-N, HMS1646C17, HMS2721C10, ALBB-020405, ethyl2-hydroxyquinoline-4-carboxylate, NSC 25661, NSC-25661, AKOS000675994, CCG-200173, SB70548, NCGC00245398-01, SMR000275500, CS-0208320, EU-0063357, E79668, AB00583366-06, Ethyl 1,2-dihydro-2-oxoquinoline-4-carboxylate, AE-848/37174062, Ethyl 2-oxo-1,2-dihydro-4-quinolinecarboxylate #, Z53837278 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, O00167, O94925, P43220 |
| Iupac Name | ethyl 2-oxo-1H-quinoline-4-carboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT48 |
| Xlogp | 1.3 |
| Molecular Formula | C12H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WTHATVQLTWYSCI-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.252 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.648 |
| Compound Name | Ethyl 2-hydroxyquinoline-4-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 217.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 217.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9569888 |
| Inchi | InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,13,14) |
| Smiles | CCOC(=O)C1=CC(=O)NC2=CC=CC=C21 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asplenium Normale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carpobrotus Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Castanea Crenata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Centrolobium Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ceratophyllum Submersum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracocephalum Kotschyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lippia Carviodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Psilostrophe Cooperi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Sideritis Tragoriganum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Trifolium Alexandrinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all