chempirical

Gefitinib

C22H24ClFN4O3CAS 184475-35-2446.91 g/mol

Open in Covalent MOL file
ONNNHFClONO
Aryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C22H24ClFN4O3
Molar mass
446.91 g/mol
Exact mass
446.1521 Da
Melting point
194–198 °C
logP
4.28Crippen estimate
Polar surface area
68.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
184475-35-2
SMILES
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
InChIKey
XGALLCVXEZPNRQ-UHFFFAOYSA-N
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)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-
  • N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine
  • ZD 1839
  • Iressa
  • 4-(3′-Chloro-4′-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline
  • (3-Chloro-4-fluorophenyl)[7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl]amine
  • 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline
  • ZD1839
  • Gefonib
  • N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine

Work with Gefitinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Canertinib267243-28-768 % similar Canertinib dihydrochloride289499-45-268 % similar Dacomitinib1110813-31-462 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-256 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-153 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-449 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-548 % similar N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide439081-18-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook