Basic information
- Standard SMILES
COc1ccc(CNc2nc3ccc(Br)cc3cc2I)cc1- InChIKey
KJYLVJMQSJUPIP-UHFFFAOYSA-N- Molecular formula
- C17H14BrIN2O
- Average molar mass
- 469.1 g/mol
Names & identifiers
- Preferred name
- 6-bromo-3-iodo-N-(4-methoxybenzyl)quinolin-2-amine
- IUPAC
- 6-bromo-3-iodo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
Names & synonyms
SCHEMBL2278793KJYLVJMQSJUPIP-UHFFFAOYSA-N6-bromo-3-iodo-N-(4-methoxybenzyl)quinolin-2-amine
Database identifiers
- PubChem CID
- 67345652
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Related reactions
6 records
Compound notes
Loading…