Ethyl 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate - CAS 23851-84-5
Catalog: |
BB018205 |
Product Name: |
Ethyl 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate |
CAS: |
23851-84-5 |
Synonyms: |
4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester; ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxylate |
Description: | Ethyl 4-Hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate (CAS# 23851-84-5) is a useful research chemical. |
Molecular Weight: | 285.22 |
Molecular Formula: | C13H10F3NO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2C(F)(F)F |
InChI: | InChI=1S/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18) |
InChI Key: | XSNJFNKOHAUNPO-UHFFFAOYSA-N |
Boiling Point: | 271.4 °C at 760 mmHg |
Density: | 1.229 g/cm3 |
MDL: | MFCD00173387 |
LogP: | 3.13590 |
Publication Number | Title | Priority Date |
KR-100844926-B1 | Quinoline derivatives as caspase-3 inhibitors, methods for their preparation and pharmaceutical compositions comprising them | 20070131 |
WO-2008093940-A1 | Quinoline derivatives as caspase-3 inhibitor, preparation process for the same and pharmaceutical composition comprising the same | 20070131 |
AU-2004298486-A1 | Quinolines useful in treating cardiovascular disease | 20031212 |
CA-2547518-A1 | Quinolines useful in treating cardiovascular disease | 20031212 |
EP-1692111-A2 | Quinolines useful in treating cardiovascular disease | 20031212 |
PMID | Publication Date | Title | Journal |
12014953 | 20020523 | Rational design and evaluation of new lead compound structures for selective betaARK1 inhibitors | 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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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