Basic information
- Standard SMILES
COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12- InChIKey
KJUGRQSYSIUZRJ-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO2
- Average molar mass
- 342.2 g/mol
Names & identifiers
- Preferred name
- Methyl 6-bromo-2-phenylquinoline-4-carboxylate
- IUPAC
- methyl 6-bromo-2-phenylquinoline-4-carboxylate
Names & synonyms
methyl 6-bromo-2-phenylquinoline-4-carboxylatemethyl 6-bromo-2-phenyl-4-quinolinecarboxylateSCHEMBL1901514KJUGRQSYSIUZRJ-UHFFFAOYSA-NSTK409479AKOS003268197ST50931074AK-968/109190156-bromo-2-phenyl-4-quinolinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 4066917
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
Loading…