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Home > Fluorides > 1150271-29-6
1150271-29-6 | 2-Butenamide, 3-(6-fluoro-4-hydroxy-2-methyl-3-quinolinyl)-N-(4-fluorophenyl)-, (2E)-
CAS No: 1150271-29-6 Catalog No: AG000FQB MDL No:MFCD12026058
Product Description
Catalog Number:
AG000FQB
Chemical Name:
2-Butenamide, 3-(6-fluoro-4-hydroxy-2-methyl-3-quinolinyl)-N-(4-fluorophenyl)-, (2E)-
CAS Number:
1150271-29-6
Molecular Formula:
C20H16F2N2O2
Molecular Weight:
354.3500
MDL Number:
MFCD12026058
IUPAC Name:
(E)-3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide
InChI:
InChI=1S/C20H16F2N2O2/c1-11(9-18(25)24-15-6-3-13(21)4-7-15)19-12(2)23-17-8-5-14(22)10-16(17)20(19)26/h3-10H,1-2H3,(H,23,26)(H,24,25)/b11-9+
InChI Key:
CARZQIACBHGQCP-PKNBQFBNSA-N
SMILES:
O=C(/C=C(/c1c(C)nc2c(c1O)cc(cc2)F)\C)Nc1ccc(cc1)F
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
354.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.357g/mol
Monoisotopic Mass:
354.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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