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129672-09-9 | 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 129672-09-9 Catalog No: AG000TL3 MDL No:
Product Description
Catalog Number:
AG000TL3
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
129672-09-9
Molecular Formula:
C15H17FN4O3
Molecular Weight:
320.3189
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C15H17FN4O3/c1-2-19-7-10(15(22)23)12(21)9-5-11(16)14(18-13(9)19)20-4-3-8(17)6-20/h5,7-8H,2-4,6,17H2,1H3,(H,22,23)
InChI Key:
BQDVLIDLHOSQHC-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCC(C1)N)c(c2)F
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.324g/mol
Monoisotopic Mass:
320.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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