4-(3'-Bromobenzoyl)-6,7-dimethoxyquinazoline
Basic information
- CAS
256532-03-3- Standard SMILES
COc1cc2ncnc(C(=O)c3cccc(Br)c3)c2cc1OC- InChIKey
VWYAGHXULKUVQY-UHFFFAOYSA-N- Molecular formula
- C17H13BrN2O3
- Average molar mass
- 373.2 g/mol
- Monoisotopic mass
- 372.01095
Names & identifiers
- Preferred name
- 4-(3'-Bromobenzoyl)-6,7-dimethoxyquinazoline
- IUPAC
- (3-bromophenyl)-(6,7-dimethoxyquinazolin-4-yl)methanone
Names & synonyms
256532-03-34-(3'-bromobenzoyl)-6,7-dimethoxyquinazolineSCHEMBL5864878DTXSID40430923DB-088961(3-Bromophenyl)(6,7-dimethoxyquinazolin-4-yl)methanone
Database identifiers
- CAS
256532-03-3- PubChem CID
- 9799648
- DTXSID
DTXSID40430923- Nikkaji
- J1.288.202E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
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Compound notes
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