7-Benzyloxy-3-methylpivaloyl-3,4-dihydroquinazolin-4-one
Basic information
- Standard SMILES
CCC(C)(C)C(=O)c1nc2cc(OCc3ccccc3)ccc2c(=O)[nH]1- InChIKey
CIMYQGXJKSYEKS-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Names & identifiers
- Preferred name
- 7-Benzyloxy-3-methylpivaloyl-3,4-dihydroquinazolin-4-one
- IUPAC
- 2-(2,2-dimethylbutanoyl)-7-phenylmethoxy-3H-quinazolin-4-one
Names & synonyms
SCHEMBL7859589CIMYQGXJKSYEKS-UHFFFAOYSA-N7-benzyloxy-3-methylpivaloyl-3,4-dihydroquinazolin-4-one
Database identifiers
- PubChem CID
- 136161815
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
3 records
Compound notes
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