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182868-35-5 | 3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS No: 182868-35-5 Catalog No: AG00246D MDL No:
Product Description
Catalog Number:
AG00246D
Chemical Name:
3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS Number:
182868-35-5
Molecular Formula:
C18H19BrFN3O3
Molecular Weight:
424.2642
IUPAC Name:
8-bromo-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C18H19BrFN3O3/c1-9-7-22(5-4-21-9)16-13(20)6-11-15(14(16)19)23(10-2-3-10)8-12(17(11)24)18(25)26/h6,8-10,21H,2-5,7H2,1H3,(H,25,26)
InChI Key:
ZBTVXBLYDBQQDF-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1c(F)cc2c(c1Br)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.059g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.27g/mol
Monoisotopic Mass:
423.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Mutant prevention concentration as a measure of fluoroquinolone potency against mycobacteria. | Antimicrobial agents and chemotherapy 20001201 |
| Fluoroquinolone action against mycobacteria: effects of C-8 substituents on growth, survival, and resistance. | Antimicrobial agents and chemotherapy 19981101 |
| Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position. | Antimicrobial agents and chemotherapy 19961001 |
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