1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid - CAS 103995-01-3
Catalog: |
BB067819 |
Product Name: |
1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid |
CAS: |
103995-01-3 |
Synonyms: |
1-(2,4-Difluorophenyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid; Abbott 72931 |
IUPAC Name: | 1-(2,4-difluorophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid |
Description: | 1-(2,4-Difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is an intermediate used to prepare hydrazinoquinolones and azetidinylquinolinones derivatives as antibacterial agents. |
Molecular Weight: | 337.23 |
Molecular Formula: | C16H7F4NO3 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O |
InChI: | InChI=1S/C16H7F4NO3/c17-7-1-2-13(12(20)3-7)21-6-9(16(23)24)15(22)8-4-10(18)11(19)5-14(8)21/h1-6H,(H,23,24) |
InChI Key: | BNYMEXVJUDGTJS-UHFFFAOYSA-N |
References: | Singh, R., et al. Eur. J. Med. Chem., 33, 697 (1998); Frigola, J., et al. J. Med. Chem., 38, 1203 (1995). |
Complexity: | 570 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.03620573 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.03620573 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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