| CAS Number | 1035638-91-5 |
| Catalog Number | AG01ENKO(AGN-PC-3H45OC) |
| Chemical Name | N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-2-propenamide |
| IUPAC Name | N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide |
| InChI | InChI=1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23) |
| InChI Key | TUYDDIWQXWTNSW-UHFFFAOYSA-N |
| MDL Number | MFCD30182370 |
| Molecular Formula | C18H14ClFN4O2 |
| Molecular Weight | 372.7808 |
| SMILES | ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)NC(C=C)=O)OC |
| Synonyms | 1035638-91-5,
CHEMBL3883534,
PF 6274484,
N-(4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)acrylamide,
N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-2-propenamide,
BDBM50210162,
AKOS027470319,
ZINC207124463,
PF-6274484,
PF-6274484, >=98% (HPLC),
TUYDDIWQXWTNSW-UHFFFAOYSA-N,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.784g/mol |
| Monoisotopic Mass | 372.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number