Ethyl 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate - CAS 26893-12-9
Catalog: |
BB019395 |
Product Name: |
Ethyl 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate |
CAS: |
26893-12-9 |
Synonyms: |
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester; ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate |
Description: | Ethyl 4-Hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate (CAS# 26893-12-9) is a useful research chemical. |
Molecular Weight: | 285.22 |
Molecular Formula: | C13H10F3NO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18) |
InChI Key: | SPGPSFWOMJQSDF-UHFFFAOYSA-N |
Boiling Point: | 351.8 °C at 760 mmHg |
Density: | 1.373 g/cm3 |
MDL: | MFCD00173369 |
LogP: | 3.13590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109651247-A | A kind of green high-efficient synthetic method of carbostyril compound | 20181220 |
AU-2008261888-A1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
CA-2688405-A1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
CN-101686682-A | therapeutic pyrazoloquinoline urea derivatives | 20070608 |
EP-2164328-B1 | Therapeutic pyrazoloquinoline urea derivatives | 20070608 |
PMID | Publication Date | Title | Journal |
16610795 | 20060420 | 4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling | Journal of medicinal chemistry |
Complexity: | 445 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.06127767 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.06127767 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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