Basic information
- CAS
61895-37-2- Standard SMILES
COC1=C(Br)C(=O)c2nc(C)ccc2C1=O- InChIKey
XEGBXQGPUKNRNM-UHFFFAOYSA-N- Molecular formula
- C11H8BrNO3
- Average molar mass
- 282.09 g/mol
- Monoisotopic mass
- 280.96876
Names & identifiers
- Preferred name
- 7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione
- IUPAC
- 7-bromo-6-methoxy-2-methylquinoline-5,8-dione
Names & synonyms
7-bromo-6-methoxy-2-methylquinoline-5,8-dione61895-37-27-Bromo-6-methoxy-2-methyl-5,8-quinolinedione39B2676EQCNSC 132492NSC-132492DTXSID802109085,8-Quinolinedione, 7-bromo-6-methoxy-2-methyl-RefChem:105882CHEMBL-1707222DTXCID70133399MLS002920162
Show more names
NSC132492SMR001797759UNII-39B2676EQCcid_280615CHEMBL1707222BDBM81271NCI60_0007177-bromo-6-methoxy-2-methyl-quinoline-5,8-dione
Database identifiers
- CAS
61895-37-2- PubChem CID
- 280615
- DTXSID
DTXSID80210908- ChEMBL
CHEMBL1707222- UNII
- 39B2676EQC
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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