Lapatinib

C29H26ClFN4O4SCAS 231277-92-2581.06 g/mol

Open in Covalent MOL file
SOONHNNHNOFClO
Aryl halideEtherSecondary amineSulfone

Properties

Molecular formula
C29H26ClFN4O4S
Molar mass
581.06 g/mol
Exact mass
580.1347 Da
pKa
3.8 (amine), 7.2 (amine)
logP
6.14Crippen estimate
Polar surface area
106.3 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P264+P265, P270, P273, P280, P305+P351+P338, P318, P337+P317, P501

Identifiers

CAS number
231277-92-2
SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
InChI
InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)

Weigh it out

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

Names and synonyms

13 names · show all
  • 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-
  • N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine
  • GW 572016
  • 4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline
  • GSK 572016
  • N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine
  • GW 572016X
  • N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine
  • Tyverb
  • N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
  • N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine
  • GD 2016
  • Tycerb

Work with Lapatinib

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lapatinib ditosylate388082-77-7Salt Lapatinib ditosylate monohydrate388082-78-8Salt

Similar compounds

5-[4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde231278-84-567 % similar N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine231278-20-956 % similar 3-Chloro-4-(3-fluorobenzyloxy)aniline202197-26-033 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-632 % similar 2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-benzene443882-99-332 % similar N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine179552-74-032 % similar Gefitinib184475-35-231 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook