2-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
Basic information
- CAS
847175-16-0- Standard SMILES
Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)cc1- InChIKey
YWLCFKJXHOOFLH-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- 2-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
- IUPAC
- 2-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
Names & synonyms
2-methyl-N-(4-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]propanamide2-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide847175-16-0MLS000779212CHEMBL1722950DTXSID101320947HMS2748B12STK586331AKOS005509068AKOS032389259SMR000415905N-(2-Hydroxy-quinolin-4-ylmethyl)-N-p-tolyl-isobutyramide
Show more names
N-((2-hydroxyquinolin-4-yl)methyl)-N-(p-tolyl)isobutyramide
Database identifiers
- CAS
847175-16-0- PubChem CID
- 944360
- DTXSID
DTXSID101320947- ChEMBL
CHEMBL1722950
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Experimental & physicochemical properties
Solubility47.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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