chempirical

Saracatinib

C27H32ClN5O5CAS 379231-04-6542.03 g/mol

Open in Covalent MOL file
NNOOOHNClOONN
AcetalAryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C27H32ClN5O5
Molar mass
542.03 g/mol
Exact mass
541.2092 Da
logP
3.94Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
8

Identifiers

CAS number
379231-04-6
SMILES
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1
InChIKey
OUKYUETWWIPKQR-UHFFFAOYSA-N
InChI
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)

Weigh it out

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

Names and synonyms

8 names
  • 4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-
  • N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]-4-quinazolinamine
  • 4-(6-Chloro-2,3-methylenedioxyanilino)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-tetrahydropyran-4-yloxyquinazoline
  • 7-[2-[4-Methylpiperazin-1-yl]ethoxy]-5-[[tetrahydropyran-4-yl]oxy]-4-[[6-chloro-2,3-methylenedioxyphenyl]amino]quinazoline
  • AZD 0530
  • AZD0530
  • AZD 530
  • AZD-0530

Work with Saracatinib

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

N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide439081-18-234 % similar Afatinib850140-72-634 % similar Gefitinib184475-35-234 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-134 % similar Diethyl P-[2-[[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]amino]-2-oxoethyl]phosphonate618061-76-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook