3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
Basic information
- CAS
714227-17-5- Standard SMILES
COc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3C)cc2c1- InChIKey
FVENRQKIXVERJF-UHFFFAOYSA-N- Molecular formula
- C19H20N2O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.15247789
Names & identifiers
- Preferred name
- 3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
- IUPAC
- 3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
Names & synonyms
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one714227-17-5MLS000778567CHEMBL1384483DTXSID001322502HMS2756C06STL050787AKOS000661952AKOS032388116CCG-274997SMR000415361ST50747684
Show more names
3-(((2,4-dimethylphenyl)amino)methyl)-6-methoxyquinolin-2-ol3-[(2,4-Dimethylanilino)methyl]-6-methoxyquinolin-2(1H)-one3-[(2,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol3-{[(2,4-dimethylphenyl)amino]methyl}-6-methoxyquinolin-2(1H)-one3-{[(2,4-DIMETHYLPHENYL)AMINO]METHYL}-6-METHOXY-1H-QUINOLIN-2-ONE
Database identifiers
- CAS
714227-17-5- PubChem CID
- 941920
- DTXSID
DTXSID001322502- ChEMBL
CHEMBL1384483
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
Solubility41.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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