2-Methylpropyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Basic information
- CAS
354771-79-2- Standard SMILES
Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cccc(C)c3n2)cc1- InChIKey
WRGAWFMLQPZFQS-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- 2-Methylpropyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- IUPAC
- 2-methylpropyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- English name
- isobutyl 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
- Molecular formula
- C22H23NO2
- Molecular weight
- 333.42352
Names & synonyms
2-methylpropyl 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylateisobutyl 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylateOprea1_843997STK269721AKOS001672113EU-0078455ST50854287AK-918/13771435SR-01000494563SR-01000494563-1
Database identifiers
- CAS
354771-79-2- PubChem CID
- 698737
- EC Number
- 126-140-3
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…