2-Bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzaldehyde
Basic information
- CAS
655248-60-5- Standard SMILES
COc1cc2ncnc(Nc3ccc(C=O)c(Br)c3)c2cc1OC- InChIKey
CLQWXEDVWCCIMB-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O3
- Average molar mass
- 388.2 g/mol
- Monoisotopic mass
- 387.02185
Names & identifiers
- Preferred name
- 2-Bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzaldehyde
- IUPAC
- 2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzaldehyde
Names & synonyms
655248-60-5Benzaldehyde, 2-bromo-4-[(6,7-dimethoxy-4-quinazolinyl)amino]-SCHEMBL66640952-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzaldehydeDTXSID101178550
Database identifiers
- CAS
655248-60-5- PubChem CID
- 10249645
- DTXSID
DTXSID101178550
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
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Compound notes
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