4-hydroxy-3-methyl-1-phenylquinolin-2(1H)-one
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Basic information
- CAS
94298-58-5- Standard SMILES
Cc1c(O)c2ccccc2n(-c2ccccc2)c1=O- InChIKey
PONDTDGZGSMGDN-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 4-hydroxy-3-methyl-1-phenylquinolin-2(1H)-one
- IUPAC
- 4-hydroxy-3-methyl-1-phenylquinolin-2-one
- English name
- 4-Hydroxy-3-methyl-1-phenylquinolin-2(1H)-one
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.28
Names & synonyms
4-hydroxy-3-methyl-1-phenylquinolin-2(1H)-one94298-58-5MLS001179439CHEMBL1903087HMS2795K07SBB100954SMR0004758064-hydroxy-3-methyl-1-phenylquinolin-2-one4-hydroxy-3-methyl-1-phenyl-quinolin-2-one4-hydroxy-3-methyl-1-phenylhydroquinolin-2-oneAE-406/41057079
Database identifiers
- CAS
94298-58-5- PubChem CID
- 54694337
- ChEMBL
CHEMBL1903087- Nikkaji
- J2.197.195B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Solubility>37.7 [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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