Basic information
- CAS
669757-46-4- Standard SMILES
Cc1cccc2c(C(=O)OCC(=O)C(C)(C)C)cc(-c3ccccc3)nc12- InChIKey
LSEOJWUTVADNEA-UHFFFAOYSA-N- Molecular formula
- C23H23NO3
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.1677936
Names & identifiers
- Preferred name
- 3,3-Dimethyl-2-oxobutyl 8-methyl-2-phenyl-4-quinolinecarboxylate
- IUPAC
- (3,3-dimethyl-2-oxobutyl) 8-methyl-2-phenylquinoline-4-carboxylate
- English name
- 3,3-dimethyl-2-oxobutyl 8-methyl-2-phenyl-4-quinolinecarboxylate
- Molecular formula
- C23H23NO3
- Molecular weight
- 361.43
Names & synonyms
3,3-dimethyl-2-oxobutyl 8-methyl-2-phenyl-4-quinolinecarboxylate(3,3-dimethyl-2-oxobutyl) 8-methyl-2-phenylquinoline-4-carboxylateSTK264275AKOS003317140AK-918/422938733,3-dimethyl-2-oxobutyl 8-methyl-2-phenylquinoline-4-carboxylate4-Quinolinecarboxylic acid, 8-methyl-2-phenyl-, 3,3-dimethyl-2-oxobutyl ester
Database identifiers
- CAS
669757-46-4- PubChem CID
- 1218641
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 542.9 · 542.9±50.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- pka
- 2.66 · 2.66±0.13(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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