Octyl 2-(4-methylphenyl)quinoline-4-carboxylate
Basic information
- CAS
354772-93-3- Standard SMILES
CCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12- InChIKey
AHLFIAWVPGWFCV-UHFFFAOYSA-N- Molecular formula
- C25H29NO2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.21982917
Names & identifiers
- Preferred name
- Octyl 2-(4-methylphenyl)quinoline-4-carboxylate
- IUPAC
- octyl 2-(4-methylphenyl)quinoline-4-carboxylate
- English name
- Octyl 2-(4-methylphenyl)-4-quinolinecarboxylate
- Molecular formula
- C25H29NO2
- Molecular weight
- 375.5
Names & synonyms
octyl 2-(4-methylphenyl)quinoline-4-carboxylateSTK269723AKOS003763687ST50879453OCTYL 2-(4-METHYLPHENYL)-4-QUINOLINECARBOXYLATE4-Quinolinecarboxylic acid, 2-(4-methylphenyl)-, octyl ester
Database identifiers
- CAS
354772-93-3- PubChem CID
- 3754265
- EC Number
- 126-261-1
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 518.567 · 518.567±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.751 · 2.751±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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