Basic information
- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC1CCCN(S(C)(=O)=O)C1- InChIKey
RHHAVUPVXRAMLR-UHFFFAOYSA-N- Molecular formula
- C21H22ClFN4O4S
- Average molar mass
- 480.9 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-2-fluoroanilino)-6-[1-(methylsulfonyl)piperidin-3-yloxy]-7-methoxyquinazoline
- IUPAC
- N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(1-methylsulfonylpiperidin-3-yl)oxyquinazolin-4-amine
Names & synonyms
SCHEMBL3127132RHHAVUPVXRAMLR-UHFFFAOYSA-N4-(3-Chloro-2-fluoroanilino)-6-[1-(methylsulfonyl)piperidin-3-yloxy]-7-methoxyquinazoline
Database identifiers
- PubChem CID
- 10050852
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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