chempirical

4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride

C22H25Cl2FN4O3CAS 184475-55-6483.37 g/mol

Open in Covalent MOL file
ONNHNFClONOHCl
Aryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C22H25Cl2FN4O3
Molar mass
483.37 g/mol
Exact mass
482.1288 Da
logP
4.70Crippen estimate
Polar surface area
68.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Identifiers

CAS number
184475-55-6
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl
InChIKey
QUINXWLATMJDQF-UHFFFAOYSA-N
InChI
InChI=1S/C22H24ClFN4O3.ClH/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);1H

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Work with 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride

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

Gefitinib184475-35-297 % similar Canertinib dihydrochloride289499-45-270 % similar Canertinib267243-28-766 % similar Dacomitinib1110813-31-460 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-660 % similar N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine179552-74-055 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-254 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-151 % similar

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

Elsewhere

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