Basic information
- CAS
30426-61-0- Standard SMILES
COc1ccc2c(c1)c(=O)c(OC)c(-c1ccccc1)n2C- InChIKey
XTBMLWZKNWXUHV-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Overview
Japonine is a member of quinolines.
Names & identifiers
- Preferred name
- 3,6-Dimethoxy-1-methyl-2-phenyl-4(1H)-quinolinone
- IUPAC
- 3,6-dimethoxy-1-methyl-2-phenylquinolin-4-one
- English name
- japonine
- Molecular formula
- C18H17NO3
- Molecular weight
- 295.33
Names & synonyms
Japonine3,6-dimethoxy-1-methyl-2-phenylquinolin-4-one30426-61-0DTXSID903320043,6-dimethoxy-1-methyl-2-phenyl-quinolin-4-oneRefChem:910750DTXCID002830983,6-Dimethoxy-1-methyl-2-phenyl-4(1H)-quinolinoneC10699AC1L9DMZCHEBI:6082SCHEMBL27962294
Show more names
4(1H)-Quinolinone, 3,6-dimethoxy-1-methyl-2-phenyl-
SCHEMBL308639213,6-Dimethoxy-1-methyl-2-phenylquinolin-4(1H)-oneQ27107035
Database identifiers
- CAS
30426-61-0- PubChem CID
- 442915
- DTXSID
DTXSID90332004- ChEBI
CHEBI:6082- Nikkaji
- J1.436.555I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Melting point
- 143 °C · 143°C
- Boiling point
- 480.3 · 480.3±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.70(Predicted)
Chemistry & industry
Applications
DescriptionThis quinolone base occurs in the leaves of Oxira japonica Thunberg. and forms colourless crystals from MeOH-Et20. The structure has been shown to be 3: 6- dimethoxy -1-methyl-2-phenyl-4-quinolone.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Japonine is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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