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182869-30-3 | 1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
CAS No: 182869-30-3 Catalog No: AG002472 MDL No:
Product Description
Catalog Number:
AG002472
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
CAS Number:
182869-30-3
Molecular Formula:
C21H19F3N4O3
Molecular Weight:
432.3958
IUPAC Name:
1-(2,4-difluorophenyl)-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C21H19F3N4O3/c1-25-8-11-4-5-27(9-11)20-16(24)7-13-18(29)14(21(30)31)10-28(19(13)26-20)17-3-2-12(22)6-15(17)23/h2-3,6-7,10-11,25H,4-5,8-9H2,1H3,(H,30,31)
InChI Key:
DCRUHAVXSMKCRG-UHFFFAOYSA-N
SMILES:
CNCC1CCN(C1)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.141g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.403g/mol
Monoisotopic Mass:
432.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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