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130436-10-1 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 130436-10-1 Catalog No: AG000UFM MDL No:
Product Description
Catalog Number:
AG000UFM
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
130436-10-1
Molecular Formula:
C13H10FNO3
Molecular Weight:
247.2218
IUPAC Name:
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H10FNO3/c14-7-1-4-11-9(5-7)12(16)10(13(17)18)6-15(11)8-2-3-8/h1,4-6,8H,2-3H2,(H,17,18)
InChI Key:
DFDZKSVJTUNHNX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.225g/mol
Monoisotopic Mass:
247.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Identification, biological activity, and mechanism of the anti-ischemic quinolone analog. | Bioorganic & medicinal chemistry 20071015 |
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