3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, ethyl ester
Basic information
- CAS
40889-47-2- Standard SMILES
CCOC(=O)Cn1c(C)nc2ccc(Br)cc2c1=O- InChIKey
IXZZDRLITBEKSF-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2O3
- Average molar mass
- 325.16 g/mol
- Monoisotopic mass
- 324.01095
Names & identifiers
- Preferred name
- 3(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, ethyl ester
- IUPAC
- ethyl 2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetate
Names & synonyms
BRN 08912803(4H)-Quinazolineacetic acid, 6-bromo-2-methyl-4-oxo-, ethyl ester40889-47-26-Bromo-2-methyl-4-oxo-3(4H)-quinazolineacetic acid ethyl esterDTXSID001938655-24-03-00203 (Beilstein Handbook Reference)RefChem:269737DTXCID40116356ethyl (6-bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)acetate
Database identifiers
- CAS
40889-47-2- PubChem CID
- 218588
- DTXSID
DTXSID00193865
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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