| CAS Number | 2109805-51-6 |
| Catalog Number | AG01FS6B(AGN-PC-3H5PPN) |
| Chemical Name | 4-Ethyl-N-(7-methoxy-4-((3-vinylphenyl)amino)quinazolin-6-yl)piperazine-1-carboxamide |
| IUPAC Name | N-[4-(3-ethenylanilino)-7-methoxyquinazolin-6-yl]-4-ethylpiperazine-1-carboxamide |
| InChI | InChI=1S/C24H28N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h4,6-8,13-16H,1,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27) |
| InChI Key | NPLQWEKAWIRWDR-UHFFFAOYSA-N |
| MDL Number | MFCD31699807 |
| Molecular Formula | C24H28N6O2 |
| Molecular Weight | 432.5181 |
| SMILES | CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C=C |
| Synonyms | 2109805-51-6,
4-Ethyl-N-(7-methoxy-4-((3-vinylphenyl)amino)quinazolin-6-yl)piperazine-1-carboxamide,
AK684889,
|
| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 432.227374g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.5g/mol |
| Monoisotopic Mass | 432.227374g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number