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Basic information
- Standard SMILES
O=Cc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1- InChIKey
NSFMZYRCAAZZAD-UHFFFAOYSA-N- Molecular formula
- C22H15ClFN3O2
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.0836826
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino) 6-formylquinazoline
- IUPAC
- 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazoline-6-carbaldehyde
Names & synonyms
SCHEMBL2993473NSFMZYRCAAZZAD-UHFFFAOYSA-N4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino) 6-formylquinazoline4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-formylquinazoline
Database identifiers
- PubChem CID
- 57733656
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 542
Related reactions
8 records
Compound notes
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