chempirical

Poziotinib

C23H21Cl2FN4O3CAS 1092364-38-9491.34 g/mol

Open in Covalent MOL file
ONOHNClClFNNO
AlkeneAmideAryl halideEtherSecondary amine

Properties

Molecular formula
C23H21Cl2FN4O3
Molar mass
491.34 g/mol
Exact mass
490.0975 Da
logP
5.38Crippen estimate
Polar surface area
76.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
1092364-38-9
SMILES
C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1
InChIKey
LPFWVDIFUFFKJU-UHFFFAOYSA-N
InChI
InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)

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Names and synonyms

3 names
  • 2-Propen-1-one, 1-[4-[[4-[(3,4-dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-
  • 1-[4-[[4-[(3,4-Dichloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-propen-1-one
  • 1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

Work with Poziotinib

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

Sapitinib848942-61-057 % similar Vandetanib443913-73-340 % similar Gefitinib184475-35-239 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-437 % similar Dacomitinib1110813-31-437 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-136 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-535 % similar N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide439081-18-235 % similar

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

Elsewhere

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