Home Carboxys 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-

3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-

CAS No.:
113617-63-3
Catalog Number:
AG00096D
Molecular Formula:
C19H20F3N3O3
Molecular Weight:
395.3756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
99%(HPLC)
In Stock USA
United States
$73
- +
100mg
99%(HPLC)
In Stock USA
United States
$119
- +
1g
99%(HPLC)
In Stock USA
United States
$819
- +
Product Description
Catalog Number:
AG00096D
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5,6,8-trifluoro-1,4-dihydro-4-oxo-, rel-
CAS Number:
113617-63-3
Molecular Formula:
C19H20F3N3O3
Molecular Weight:
395.3756
MDL Number:
MFCD00864858
IUPAC Name:
1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
InChI Key:
QIPQASLPWJVQMH-DTORHVGOSA-N
SMILES:
C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(F)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
UNII:
660932TPY6
NSC Number:
758614
Properties
Complexity:
691  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
395.146g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
395.382g/mol
Monoisotopic Mass:
395.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
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