Basic information
- Standard SMILES
Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Br)CC3- InChIKey
BQKISOTZFQESER-UHFFFAOYSA-N- Molecular formula
- C18H21BrN2O3
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- 6-bromo-2-methyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-4-one
- IUPAC
- (6-bromo-2-methyl-4-oxo-7,8-dihydro-6H-cyclopenta[g]quinazolin-3-yl)methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL6943265BQKISOTZFQESER-UHFFFAOYSA-N6-Bromo-2-methyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]-quinazolin-4-one6-bromo-2-methyl-3-pivaloyloxymethyl-3,4,7,8-tetrahydro-6H-cyclopenta[g]quinazolin-4-one
Database identifiers
- PubChem CID
- 10524601
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
Related reactions
3 records
Compound notes
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