| CAS Number | 1072944-93-4 |
| Catalog Number | AG003C0H(AGN-PC-0WA2E1) |
| Chemical Name | (E)-3-(4-Hydroxy-8-methoxy-2-methylquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide |
| IUPAC Name | (E)-3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide |
| InChI | InChI=1S/C22H22N2O4/c1-13(12-19(25)24-16-9-5-6-10-17(16)27-3)20-14(2)23-21-15(22(20)26)8-7-11-18(21)28-4/h5-12H,1-4H3,(H,23,26)(H,24,25)/b13-12+ |
| InChI Key | DRIRBMCODRUJKT-OUKQBFOZSA-N |
| MDL Number | MFCD11504952 |
| Molecular Formula | C22H22N2O4 |
| Molecular Weight | 378.4211 |
| SMILES | C/C(C1=C(O)C2=CC=CC(OC)=C2N=C1C)=CC(NC3=CC=CC=C3OC)=O |
| Synonyms | (E)-3-(4-HYDROXY-8-METHOXY-2-METHYLQUINOLIN-3-YL)-N-(2-METHOXYPHENYL)BUT-2-ENAMIDE,
1072944-93-4,
MFCD11504952,
AKOS015856123,
ZINC100006094,
AJ-95993,
AX8231365,
ST24020685,
Z6995,
A-4487,
I08-673,
C22H22N2O4,
|
| Complexity | 669 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 378.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.428g/mol |
| Monoisotopic Mass | 378.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number