Basic information
- CAS
5114-73-8- Standard SMILES
COc1cc2c(cc1OC)C1CC(=O)C3=C(CCCC3)N1CC2- InChIKey
INEDYLNPEMMYNM-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- 9,10-Dimethoxy-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino(2,1-a)quinolin-13-one
- IUPAC
- 9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
- English name
- 9,10-DIMETHOXY-1,2,3,4,6,7,11B,12-OCTAHYDRO-13H-ISOQUINO[2,1-A]QUINOLIN-13-ONE
- Molecular formula
- C19H23NO3
- Molecular weight
- 313.39
Names & synonyms
5114-73-8NSC1605789,10-Dimethoxy-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino(2,1-a)quinolin-13-one9,10-dimethoxy-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-oneMFCD031026119,10-Dimethoxy-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-one13,14-dimethoxy-1-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-2(7),11(16),12,14-tetraen-8-oneNSC 160578AKOS005098960NSC-1605786T-085513H-Dibenzo[a,f]quinolizin-13-one, 1,2,3,4,6,7,11b,12-octahydro-9,10-dimethoxy-
Database identifiers
- CAS
5114-73-8- PubChem CID
- 293703
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 485.9 · 485.9±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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