Ethyl 8-Fluoro-4-hydroxyquinoline-3-carboxylate - CAS 63010-69-5
Catalog: |
BB031941 |
Product Name: |
Ethyl 8-Fluoro-4-hydroxyquinoline-3-carboxylate |
CAS: |
63010-69-5 |
Synonyms: |
8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester; ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate |
Description: | Ethyl 8-Fluoro-4-hydroxyquinoline-3-carboxylate (CAS# 63010-69-5) is an intermediate used to prepare halogenated 4-quinolones with antiplasmodial activities. |
Molecular Weight: | 235.21 |
Molecular Formula: | C12H10FNO3 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2F |
InChI: | InChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15) |
InChI Key: | MPUYCZQHTGRPNE-UHFFFAOYSA-N |
LogP: | 1.84390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2490692-A1 | Quinolinone-pyrazolone m1 receptor positive allosteric modulators | 20091021 |
EP-2490692-B1 | Quinolinone-pyrazolone m1 receptor positive allosteric modulators | 20091021 |
US-2012196845-A1 | Quinolinone-pyrazolone m1 receptor positive allosteric modulators | 20091021 |
US-8895580-B2 | Quinolinone-pyrazolone M1 receptor positive allosteric modulators | 20091021 |
WO-2011049731-A1 | Quinolinone-pyrazolone m1 receptor positive allosteric modulators | 20091021 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.06447134 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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