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141874-19-3 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-hydroxyphenyl)-4-oxo-
CAS No: 141874-19-3 Catalog No: AG001HAZ MDL No:
Product Description
Catalog Number:
AG001HAZ
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-hydroxyphenyl)-4-oxo-
CAS Number:
141874-19-3
Molecular Formula:
C19H14FNO4
Molecular Weight:
339.3172
IUPAC Name:
1-cyclopropyl-6-fluoro-7-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H14FNO4/c20-16-7-14-17(8-13(16)10-1-5-12(22)6-2-10)21(11-3-4-11)9-15(18(14)23)19(24)25/h1-2,5-9,11,22H,3-4H2,(H,24,25)
InChI Key:
DISCUNPKVHOSCE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.322g/mol
Monoisotopic Mass:
339.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 7-((4-Substituted)piperazin-1-yl) derivatives of ciprofloxacin: synthesis and in vitro biological evaluation as potential antitumor agents. | Bioorganic & medicinal chemistry 20090801 |
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