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Vandetanib

C22H24BrFN4O2CAS 443913-73-3475.36 g/mol

Open in Covalent MOL file
ONHBrFNNON
Aryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C22H24BrFN4O2
Molar mass
475.36 g/mol
Exact mass
474.1067 Da
Melting point
242 °C
logP
5.00Crippen estimate
Polar surface area
59.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
443913-73-3
SMILES
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIKey
UHTHHESEBZOYNR-UHFFFAOYSA-N
InChI
InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

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Names and synonyms

12 names
  • 4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-
  • N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-4-quinazolinamine
  • ZD 6474
  • 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
  • Zactima
  • CH 331
  • Caprelsa
  • N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
  • N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(N-methylpiperidin-4-ylmethoxy)quinazolin-4-amine
  • AZD 6474
  • AZD6474
  • AZD-6474

Work with Vandetanib

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

4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-547 % similar Gefitinib184475-35-245 % similar Poziotinib1092364-38-940 % similar Sapitinib848942-61-039 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-438 % similar Dacomitinib1110813-31-435 % similar 4-Bromo-2-fluoroanisole2357-52-034 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-234 % similar

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

Elsewhere

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