Basic information
- Standard SMILES
COC(=O)Cn1c(=O)[nH]c2ccc(C(=O)c3c(C)c(Br)c4ccccn34)cc2c1=O- InChIKey
AWMNESQAGZDLDU-UHFFFAOYSA-N- Molecular formula
- C21H16BrN3O5
- Average molar mass
- 470.3 g/mol
Names & identifiers
- Preferred name
- methyl {6-[(1-bromo-2-methylindolizin-3-yl)carbonyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}acetate
- IUPAC
- methyl 2-[6-(1-bromo-2-methylindolizine-3-carbonyl)-2,4-dioxo-1H-quinazolin-3-yl]acetate
Names & synonyms
SCHEMBL15017204AWMNESQAGZDLDU-UHFFFAOYSA-Nmethyl {6-[(1-bromo-2-methylindolizin-3-yl)carbonyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}acetate
Database identifiers
- PubChem CID
- 89618502
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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