Basic information
- CAS
848682-54-2- Standard SMILES
Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)C(C)C)c1- InChIKey
TVIDCIKIWLEXJJ-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- 2-methyl-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
- IUPAC
- 2-methyl-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
Names & synonyms
2-methyl-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide848682-54-2MLS000778991CHEMBL1717158DTXSID401320946HMS2749L04STK593321AKOS005515376NCGC00309920-01SMR000415680AB00655040-06N-(2-Hydroxy-quinolin-4-ylmethyl)-N-m-tolyl-isobutyramide
Show more names
N-((2-hydroxyquinolin-4-yl)methyl)-N-(m-tolyl)isobutyramideN-[(2-hydroxyquinolin-4-yl)methyl]-2-methyl-N-(3-methylphenyl)propanamide2-Methyl-N-(3-methylphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]propanamide
Database identifiers
- CAS
848682-54-2- PubChem CID
- 945751
- DTXSID
DTXSID401320946- ChEMBL
CHEMBL1717158
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
- 540
Experimental & physicochemical properties
Solubility36.3 [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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