2-(2,5-Dimethylphenyl)-2-oxoethyl 2-(biphenyl-4-yl)-6-methylquinoline-4-carboxylate
Basic information
- CAS
355826-83-4- Standard SMILES
Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccc(C)cc23)c1- InChIKey
HFNMSVFWUPHRFJ-UHFFFAOYSA-N- Molecular formula
- C33H27NO3
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.19909372
Names & identifiers
- Preferred name
- 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-(biphenyl-4-yl)-6-methylquinoline-4-carboxylate
- IUPAC
- [2-(2,5-dimethylphenyl)-2-oxoethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
- English name
- 2-(2,5-Di-Me-Ph)-2-oxoethyl 2-(1,1'-biphenyl)-4-yl-6-Me-4-quinolinecarboxylate
- Molecular formula
- C33H27NO3
- Molecular weight
- 485.57
Names & synonyms
STK380269AKOS005450010ST508841142-(2,5-DI-ME-PH)-2-OXOETHYL 2-(1,1'-BIPHENYL)-4-YL-6-ME-4-QUINOLINECARBOXYLATE2-(2,5-dimethylphenyl)-2-oxoethyl 2-(biphenyl-4-yl)-6-methylquinoline-4-carboxylate2-(2,5-dimethylphenyl)-2-oxoethyl 6-methyl-2-(4-phenylphenyl)quinoline-4-carbo xylate4-Quinolinecarboxylic acid, 2-[1,1′-biphenyl]-4-yl-6-methyl-, 2-(2,5-dimethylphenyl)-2-oxoethyl ester
Database identifiers
- CAS
355826-83-4- PubChem CID
- 3780141
- EC Number
- 126-258-5
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 768
Physicochemical properties
- Boiling point
- 718.832 · 718.832±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.998 · 1.998±0.30(predicted)
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