Octyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
Basic information
- CAS
354770-19-7- Standard SMILES
CCCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc12- InChIKey
MNFMSOLRQMYUPC-UHFFFAOYSA-N- Molecular formula
- C25H28BrNO2
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 453.13034
Names & identifiers
- Preferred name
- Octyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
- IUPAC
- octyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
Names & synonyms
octyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylateSTK269701AKOS003260435ST50854231octyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
Database identifiers
- CAS
354770-19-7- PubChem CID
- 4323219
- EC Number
- 126-046-2
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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