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123016-42-2 | 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 123016-42-2 Catalog No: AG000JY3 MDL No:
Product Description
Catalog Number:
AG000JY3
Chemical Name:
3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
123016-42-2
Molecular Formula:
C17H19FN4O3
Molecular Weight:
346.3562
IUPAC Name:
5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI:
InChI=1S/C17H19FN4O3/c18-14-12(21-5-3-20-4-6-21)7-11-13(15(14)19)16(23)10(17(24)25)8-22(11)9-1-2-9/h7-9,20H,1-6,19H2,(H,24,25)
InChI Key:
YDCDVKGBYXKGGH-UHFFFAOYSA-N
SMILES:
Fc1c(cc2c(c1N)c(=O)c(cn2C1CC1)C(=O)O)N1CCNCC1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
346.362g/mol
Monoisotopic Mass:
346.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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