200,000+ products from a single source!
sales@angenechem.com
116162-95-9 | 1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS No: 116162-95-9 Catalog No: AG000BSD MDL No:
Product Description
Catalog Number:
AG000BSD
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
CAS Number:
116162-95-9
Molecular Formula:
C18H23FN4O3
Molecular Weight:
362.3986
IUPAC Name:
1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C18H23FN4O3/c1-10-8-22(6-5-20-10)16-13(19)7-11-14(24)12(17(25)26)9-23(15(11)21-16)18(2,3)4/h7,9-10,20H,5-6,8H2,1-4H3,(H,25,26)
InChI Key:
QXNOSGDKQAIMRL-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1nc2c(cc1F)c(=O)c(cn2C(C)(C)C)C(=O)O
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.175g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.405g/mol
Monoisotopic Mass:
362.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Prediction of quinolone activity against Mycobacterium avium by molecular topology and virtual computational screening. | Antimicrobial agents and chemotherapy 20001001 |
| N-1-tert-butyl-substituted quinolones: in vitro anti-Mycobacterium avium activities and structure-activity relationship studies. | Antimicrobial agents and chemotherapy 19961101 |
| Structure-activity relationships of quinolone agents against mycobacteria: effect of structural modifications at the 8 position. | Antimicrobial agents and chemotherapy 19961001 |
| Fluoronaphthyridines and quinolones as antibacterial agents. 2. Synthesis and structure-activity relationships of new 1-tert-butyl 7-substituted derivatives. | Journal of medicinal chemistry 19900501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.