Basic information
- Standard SMILES
CS(=O)(=O)CCNCc1coc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)c1- InChIKey
UJYWZVPEMTYMBL-UHFFFAOYSA-N- Molecular formula
- C29H28N4O4S
- Average molar mass
- 528.6 g/mol
Names & identifiers
- Preferred name
- N-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
- IUPAC
- 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
Names & synonyms
GW566221BCHEMBL377437SCHEMBL2100342UJYWZVPEMTYMBL-UHFFFAOYSA-NNSC756253NSC-756253NCGC00242220-01AB01092308-01N-(4-(Benzyloxy)phenyl)-6-(4-(((2-(methylsulfonyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amineN-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2 furyl]-4-quinazolinamineN-[4-(benzyloxy)phenyl]-6-[4-({[2-(methanesulphonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine
Database identifiers
- PubChem CID
- 9828335
- ChEMBL
CHEMBL377437
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 810
Related reactions
6 records
Compound notes
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