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119354-10-8 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-
CAS No: 119354-10-8 Catalog No: AG000P6Y MDL No:
Product Description
Catalog Number:
AG000P6Y
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-5,6,8-trifluoro-1,4-dihydro-4-oxo-
CAS Number:
119354-10-8
Molecular Formula:
C19H20F3N3O3
Molecular Weight:
395.3756
IUPAC Name:
1-cyclopropyl-7-(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)
InChI Key:
QIPQASLPWJVQMH-UHFFFAOYSA-N
SMILES:
CC1NC(C)CN(C1)c1c(F)c(F)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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