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113533-65-6 | 1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
CAS No: 113533-65-6 Catalog No: AG0008XA MDL No:
Product Description
Catalog Number:
AG0008XA
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
CAS Number:
113533-65-6
Molecular Formula:
C18H21FN4O3
Molecular Weight:
360.3827
IUPAC Name:
1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C18H21FN4O3/c1-20-7-10-4-5-22(8-10)17-14(19)6-12-15(24)13(18(25)26)9-23(11-2-3-11)16(12)21-17/h6,9-11,20H,2-5,7-8H2,1H3,(H,25,26)
InChI Key:
YIDARVDQIDLREN-UHFFFAOYSA-N
SMILES:
CNCC1CCN(C1)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.389g/mol
Monoisotopic Mass:
360.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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