4(3H)-Quinazolinone, 6-bromo-3-((5-((4-methoxyphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-
Basic information
- CAS
40889-66-5- Standard SMILES
COc1ccc(Nc2nnc(Cn3c(C)nc4ccc(Br)cc4c3=O)o2)cc1- InChIKey
ZTMWVEKMTWIHPX-UHFFFAOYSA-N- Molecular formula
- C19H16BrN5O3
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.04365
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-3-((5-((4-methoxyphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-
- IUPAC
- 6-bromo-3-[[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methyl]-2-methylquinazolin-4-one
Names & synonyms
BRN 10499224(3H)-Quinazolinone, 6-bromo-3-((5-((4-methoxyphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-2-methyl-40889-66-5DTXSID00193880RefChem:284261DTXCID401163716-Bromo-3-{[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]methyl}-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
40889-66-5- PubChem CID
- 63465
- DTXSID
DTXSID00193880
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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