7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid - CAS 100361-18-0
Catalog: |
BB000189 |
Product Name: |
7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid |
CAS: |
100361-18-0 |
Synonyms: |
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid |
IUPAC Name: | 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid |
Description: | 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid (CAS# 100361-18-0) is used as antibacterial agent. |
Molecular Weight: | 282.65 |
Molecular Formula: | C12H8ClFN2O3 |
Canonical SMILES: | C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)Cl)F)C(=O)O |
InChI: | InChI=1S/C12H8ClFN2O3/c13-10-8(14)3-6-9(17)7(12(18)19)4-16(5-1-2-5)11(6)15-10/h3-5H,1-2H2,(H,18,19) |
InChI Key: | OXNZWNNMJBOZQO-UHFFFAOYSA-N |
Boiling Point: | 485.9 °C at 760 mmHg |
Density: | 1.727 g/cm3 |
Appearance: | Off-white or light yellow powder |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD08458865 |
LogP: | 2.22210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021009212-A1 | Antibacterial quinolone derivatives | 20190716 |
CN-110551124-A | quinolone compound or agriculturally and pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20190614 |
CN-110551124-B | Quinolone compound or agriculturally and pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20190614 |
PMID | Publication Date | Title | Journal |
20347299 | 20100501 | 4-Substituted 4-(1H-1,2,3-triazol-1-yl)piperidine: novel C7 moieties of fluoroquinolones as antibacterial agents | Bioorganic & medicinal chemistry letters |
19539467 | 20090801 | The synthesis and biological evaluation of a novel series of C7 non-basic substituted fluoroquinolones as antibacterial agents | Bioorganic & medicinal chemistry letters |
Complexity: | 466 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.020748 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.020748 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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