1-Methyl-3-[[[2-phenyl-2-(tetrahydro-4-hydroxy-2H-pyran-4-yl)ethyl]amino]methyl]-2(1H)-quinolinone
Basic information
- CAS
1226998-28-2- Standard SMILES
Cn1c(=O)c(CNCC(c2ccccc2)C2(O)CCOCC2)cc2ccccc21- InChIKey
JJENMHBNGXGANX-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Names & identifiers
- Preferred name
- 1-Methyl-3-[[[2-phenyl-2-(tetrahydro-4-hydroxy-2H-pyran-4-yl)ethyl]amino]methyl]-2(1H)-quinolinone
- IUPAC
- 3-[[[2-(4-hydroxyoxan-4-yl)-2-phenylethyl]amino]methyl]-1-methylquinolin-2-one
Names & synonyms
SCHEMBL12278690DTXSID3011149081-Methyl-3-[[[2-phenyl-2-(tetrahydro-4-hydroxy-2H-pyran-4-yl)ethyl]amino]methyl]-2(1H)-quinolinone1226998-28-23-({[2-(4-Hydroxyoxan-4-yl)-2-phenylethyl]amino}methyl)-1-methylquinolin-2(1H)-one
Database identifiers
- CAS
1226998-28-2- PubChem CID
- 58415939
- DTXSID
DTXSID301114908
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
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Compound notes
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