Ethyl 7-Bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate - CAS 131993-96-9
Catalog: |
BB007528 |
Product Name: |
Ethyl 7-Bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
CAS: |
131993-96-9 |
Synonyms: |
7-bromo-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester; ethyl 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylate |
IUPAC Name: | ethyl 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylate |
Description: | Ethyl 7-Bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS# 131993-96-9) is an intermediate in the synthesis of Rosoxacin (R693580), an antibacterial agent used against Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Staphylococcus aureus and Streptococcus pneumoniae. |
Molecular Weight: | 324.17 |
Molecular Formula: | C14H14BrNO3 |
Canonical SMILES: | CCN1C=C(C(=O)C2=C1C=C(C=C2)Br)C(=O)OCC |
InChI: | InChI=1S/C14H14BrNO3/c1-3-16-8-11(14(18)19-4-2)13(17)10-6-5-9(15)7-12(10)16/h5-8H,3-4H2,1-2H3 |
InChI Key: | YXEBMMDKOMQGBU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
TW-201103929-A | Heterocyclic urea derivatives and methods of use thereof | 20090608 |
US-2010317624-A1 | Heterocyclic urea derivatives and methods of use thereof | 20090608 |
WO-2010142978-A1 | Heterocyclic urea derivatives and methods of use thereof | 20090608 |
CZ-157597-A3 | Derivative of substituted 5-benzyl-2,4-diaminopyrimidine, process of its preparation and pharmaceutical composition containing thereof | 19941124 |
EP-0793656-A1 | Novel benzyl pyrimidines | 19941124 |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.01571 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.01571 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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