chempirical

Icotinib

C22H21N3O4CAS 610798-31-7391.43 g/mol

Open in Covalent MOL file
NHNNOOOO
AlkyneEtherSecondary amine

Properties

Molecular formula
C22H21N3O4
Molar mass
391.43 g/mol
Exact mass
391.1532 Da
logP
3.16Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
2

Identifiers

CAS number
610798-31-7
SMILES
C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1
InChIKey
QQLKULDARVNMAL-UHFFFAOYSA-N
InChI
InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)

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

Names and synonyms

3 names
  • [1,4,7,10]Tetraoxacyclododecino[2,3-g]quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-
  • N-(3-Ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine
  • BPI 2009H

Work with Icotinib

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

Erlotinib183321-74-683 % similar Erlotinib hydrochloride183319-69-979 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-549 % similar N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-447 % similar Gefitinib184475-35-244 % similar 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-137 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-136 % similar Canertinib267243-28-736 % similar

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

Elsewhere

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