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114213-69-3 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,4-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
CAS No: 114213-69-3 Catalog No: AG000AT2 MDL No:
Product Description
Catalog Number:
AG000AT2
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,4-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
CAS Number:
114213-69-3
Molecular Formula:
C20H24FN3O4
Molecular Weight:
389.4207
IUPAC Name:
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C20H24FN3O4/c1-11-9-23(7-6-22(11)2)17-15(21)8-13-16(19(17)28-3)24(12-4-5-12)10-14(18(13)25)20(26)27/h8,10-12H,4-7,9H2,1-3H3,(H,26,27)
InChI Key:
YDBVQXCJOKMPST-UHFFFAOYSA-N
SMILES:
COc1c(N2CCN(C(C2)C)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
682
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.427g/mol
Monoisotopic Mass:
389.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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