2-(4-Bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylate
Basic information
- CAS
355414-22-1- Standard SMILES
CCCCCC1CCC(c2ccc(-c3cc(C(=O)OCC(=O)c4ccc(Br)cc4)c4cccc(C)c4n3)cc2)CC1- InChIKey
OFTQLKLTQOTJHW-UHFFFAOYSA-N- Molecular formula
- C36H38BrNO3
- Average molar mass
- 612.6 g/mol
- Monoisotopic mass
- 611.20351
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate
- English name
- 2-(4-bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylate
- Molecular formula
- C36H38BrNO3
- Molecular weight
- 612.6
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-4-quinolinecarboxylateSTK196113AKOS003924661[2-(4-bromophenyl)-2-oxoethyl] 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylateST50854402AJ-292/411980612-(4-BR-PH)-2-OXOETHYL 8-ME-2-(4-(4-PENTYLCYCLOHEXYL)PH)-4-QUINOLINECARBOXYLATE2-(4-bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinolin e-4-carboxylate2-(4-bromophenyl)-2-oxoethyl 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]quinoline-4-carboxylate4-Quinolinecarboxylic acid, 8-methyl-2-[4-(4-pentylcyclohexyl)phenyl]-, 2-(4-bromophenyl)-2-oxoethyl ester
Database identifiers
- CAS
355414-22-1- PubChem CID
- 3382863
- EC Number
- 126-204-0
Properties
Computed structural properties
- XLogP
- 11.1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 825
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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