Basic information
- Standard SMILES
O=C(O)c1cc2cc(Br)ccc2nc1NC(Cc1ccc(Oc2ccc(Br)cn2)cc1)C(=O)O- InChIKey
MCARDLIPVDUNAH-UHFFFAOYSA-N- Molecular formula
- C24H17Br2N3O5
- Average molar mass
- 587.2 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-{2-[4-(5-bromo-pyridin-2-yloxy)-phenyl]-1-carboxy-ethylamino}-quinoline-3-carboxylic acid
- IUPAC
- 6-bromo-2-[[2-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-carboxyethyl]amino]quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL2311954MCARDLIPVDUNAH-UHFFFAOYSA-N6-Bromo-2-{2-[4-(5-bromo-pyridin-2-yloxy)-phenyl]-1-carboxy-ethylamino}-quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 67359554
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 708
Related reactions
1 records
Compound notes
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