Basic information
- Standard SMILES
O=C(C=CCBr)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1- InChIKey
SEVMINNVZWGYBF-UHFFFAOYSA-N- Molecular formula
- C18H12BrCl2FN4O
- Average molar mass
- 470.1 g/mol
- Monoisotopic mass
- 467.95556
Names & identifiers
- Preferred name
- 4-bromo-N-{4-[(3,4-dichloro-6-fluorophenyl)amino]quinazoline-6-yl}-2-butenamide
- IUPAC
- 4-bromo-N-[4-(4,5-dichloro-2-fluoroanilino)quinazolin-6-yl]but-2-enamide
Names & synonyms
SCHEMBL3248334SEVMINNVZWGYBF-UHFFFAOYSA-N4-bromo-N-{4-[(3,4-dichloro-6-fluorophenyl)amino]quinazoline-6-yl}-2-butenamide
Database identifiers
- PubChem CID
- 68565742
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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