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189279-51-4 | 3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS No: 189279-51-4 Catalog No: AG002I65 MDL No:
Product Description
Catalog Number:
AG002I65
Chemical Name:
3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6,7-difluoro-1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
189279-51-4
Molecular Formula:
C17H10ClF4N3O3
Molecular Weight:
415.7262
IUPAC Name:
ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6,7-difluoro-4-oxoquinoline-3-carboxylate
InChI:
InChI=1S/C17H10ClF4N3O3/c1-2-28-17(27)7-5-25(16-10(21)4-9(20)15(23)24-16)13-6(14(7)26)3-8(19)12(22)11(13)18/h3-5H,2H2,1H3,(H2,23,24)
InChI Key:
UAYOVOVLIAOJPV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn(c2nc(N)c(cc2F)F)c2c(c1=O)cc(c(c2Cl)F)F
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.035g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.729g/mol
Monoisotopic Mass:
415.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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