| CAS Number | 1150271-29-6 |
| Catalog Number | AG000FQB(AGN-PC-0WA2E2) |
| Chemical Name | (E)-3-(6-Fluoro-4-hydroxy-2-methylquinolin-3-yl)-N-(4-fluorophenyl)but-2-enamide |
| 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 |
| MDL Number | MFCD12026058 |
| Molecular Formula | C20H16F2N2O2 |
| Molecular Weight | 354.3500 |
| SMILES | O=C(/C=C(/c1c(C)nc2c(c1O)cc(cc2)F)C)Nc1ccc(cc1)F |
| Synonyms | (E)-3-(6-FLUORO-4-HYDROXY-2-METHYLQUINOLIN-3-YL)-N-(4-FLUOROPHENYL)BUT-2-ENAMIDE,
1150271-29-6,
C20H16F2N2O2,
MFCD12026058,
ZINC38537232,
AKOS015853379,
Z7613,
A-5139,
I08-663,
2-Butenamide, 3-(6-fluoro-4-hydroxy-2-methyl-3-quinolinyl)-N-(4-fluorophenyl)-, (2E)-,
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| 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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Certificate of Analysis
Lot Number