1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester - CAS 94242-51-0
Catalog:
BB041245
Product Name:
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester
CAS:
94242-51-0
Synonyms:
1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylicAcidEthylEster
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BB041245
50 mg
$199
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IUPAC Name: ethyl 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
Description: An intermediate in the preparation of Moxifloxacin derivatives.
Molecular Weight: 311.25
Molecular Formula: C15H12F3NO3
Canonical SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3
InChI: InChI=1S/C15H12F3NO3/c1-2-22-15(21)9-6-19(7-3-4-7)13-8(14(9)20)5-10(16)11(17)12(13)18/h5-7H,2-4H2,1H3
InChI Key: FGICMAMEHORFNK-UHFFFAOYSA-N
Melting Point: 170-171 °C
Solubility: 42.7 [ug/mL] (The mean of the results at pH 7.4)
Appearance: Light beige solid
LogP: 2.93040
Publication Number Title Priority Date
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 20200108
CN-112641773-A Composition containing heterocyclic compound and use thereof 20200108
AU-2019260015-A1 Process for the hydrolysis of quinolone carboxylic esters 20180425
CN-111989314-A Process for hydrolysis of quinolone formates 20180425
IL-278175-D0 Process for hydrolysis of esters quinolone carboxyls 20180425
Complexity: 520
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 311.07692773
Formal Charge: 0
Heavy Atom Count: 22
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 311.07692773
Rotatable Bond Count: 4
Topological Polar Surface Area: 46.6
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3
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