| CAS Number | 1603814-04-5 |
| Catalog Number | AG00ANBU(AGN-PC-0WH4U0) |
| Chemical Name | 3-Deschloro-4-desfluoro-4-chloro-3-fluoro Gefitinib |
| IUPAC Name | N-(4-chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
| InChI | InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
| InChI Key | WTDLLXPLBLPTEP-UHFFFAOYSA-N |
| MDL Number | MFCD29039079 |
| Molecular Formula | C22H24ClFN4O3 |
| Molecular Weight | 446.9024 |
| SMILES | COc1cc2ncnc(Nc3ccc(Cl)c(F)c3)c2cc1OCCCN4CCOCC4 |
| Synonyms | 1603814-04-5,
N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine,
MFCD29039079,
ZINC504301544,
N-(4-chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine,
N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine,
WTDLLXPLBLPTEP-UHFFFAOYSA-N,
3-Deschloro-4-desfluoro-4-chloro-3-fluoro Gefitinib,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 446.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 446.907g/mol |
| Monoisotopic Mass | 446.152g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number