chempirical

N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine

C21H14ClFIN3OCAS 231278-20-9505.72 g/mol

Open in Covalent MOL file
FOHNNNICl
Aryl halideEtherSecondary amine

Properties

Molecular formula
C21H14ClFIN3O
Molar mass
505.72 g/mol
Exact mass
504.9854 Da
logP
6.35Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
231278-20-9
SMILES
Fc1cccc(COc2ccc(Nc3ncnc4ccc(I)cc34)cc2Cl)c1
InChIKey
UHFPFDMMKYQMLC-UHFFFAOYSA-N
InChI
InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)

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Names and synonyms

6 names
  • 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-
  • 6-Iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline
  • N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodoquinazolin-4-amine
  • [3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl](6-iodoquinazolin-4-yl)amine
  • 4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-iodoquinazoline
  • N-[3-Chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazoline-4-amine

Work with N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine

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

Lapatinib231277-92-256 % similar Lapatinib ditosylate388082-77-748 % similar Lapatinib ditosylate monohydrate388082-78-847 % similar 3-Chloro-4-[(3-fluorophenyl)methoxy]benzenamine202197-26-045 % similar 2-Chloro-1-[(3-fluorophenyl)methoxy]-4-nitrobenzene443882-99-341 % similar Gefitinib184475-35-238 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-138 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-436 % similar

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

Elsewhere

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