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182868-77-5 | 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS No: 182868-77-5 Catalog No: AG00247G MDL No:
Product Description
Catalog Number:
AG00247G
Chemical Name:
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
182868-77-5
Molecular Formula:
C19H22FN3O4
Molecular Weight:
375.3941
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H22FN3O4/c1-2-27-18-15-12(7-14(20)16(18)22-6-5-10(21)8-22)17(24)13(19(25)26)9-23(15)11-3-4-11/h7,9-11H,2-6,8,21H2,1H3,(H,25,26)
InChI Key:
FXEJDXZADAOEFO-UHFFFAOYSA-N
SMILES:
CCOc1c(N2CCC(C2)N)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.4g/mol
Monoisotopic Mass:
375.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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