Basic information
- Standard SMILES
CCOc1cc(OC2CC(C(=O)OC)N(C(=O)OC(C)(C)C)C2)c2cc(Br)c(OC)cc2n1- InChIKey
YNHYDRULQMNALW-UHFFFAOYSA-N- Molecular formula
- C23H29BrN2O7
- Average molar mass
- 525.4 g/mol
- Monoisotopic mass
- 524.11581
Names & identifiers
- IUPAC
- 1-O-tert-butyl 2-O-methyl 4-(6-bromo-2-ethoxy-7-methoxyquinolin-4-yl)oxypyrrolidine-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 72245043
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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