Gefitinib

C₂₂H₂₄ClFN₄O₃CAS 184475-35-2446.91 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation73.8% of notifiers
H318 Causes serious eye damage72.5% of notifiers
H351 Suspected of causing cancer73.8% of notifiers
H361 Suspected of damaging fertility or the unborn child38.8% of notifiers
H361f Suspected of damaging fertility36.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure73.8% of notifiers
H400 Very toxic to aquatic life22.5% of notifiers
H411 Toxic to aquatic life with long lasting effects71.2% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-6Salt

Similar compounds

Canertinib267243-28-768 % similar Canertinib dihydrochloride289499-45-268 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-662 % similar Dacomitinib1110813-31-462 % similar N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine179552-74-057 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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