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100504-83-4 | 1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS No: 100504-83-4 Catalog No: AG000277 MDL No:
Product Description
Catalog Number:
AG000277
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS Number:
100504-83-4
Molecular Formula:
C17H19FN4O3
Molecular Weight:
346.3562
IUPAC Name:
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C17H19FN4O3/c1-9-7-21(5-4-19-9)16-13(18)6-11-14(23)12(17(24)25)8-22(10-2-3-10)15(11)20-16/h6,8-10,19H,2-5,7H2,1H3,(H,24,25)
InChI Key:
JWVOMVNDMVBEDU-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.362g/mol
Monoisotopic Mass:
346.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| 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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