N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine - CAS 1603814-04-5
Catalog: |
BB011631 |
Product Name: |
N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine |
CAS: |
1603814-04-5 |
Synonyms: |
N-(4-chloro-3-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine; N-(4-chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
IUPAC Name: | N-(4-chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine |
Description: | N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine (CAS# 1603814-04-5) is an impurity of Gefitinib (G304000); a tyrosine kinase inhibitor that targets the epidermal growth factor receptor (EGFR). |
Molecular Weight: | 446.90 |
Molecular Formula: | C22H24ClFN4O3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)Cl)F)OCCCN4CCOCC4 |
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 |
LogP: | 4.28650 |
Publication Number | Title | Priority Date |
CN-103739558-A | Method for preparing known impurities of gefitinib | 20130923 |
CN-103739558-B | A kind of preparation method of Gefitinib known impurities | 20130923 |
Complexity: | 545 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 446.1520965 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 446.1520965 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 68.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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