Click to view a free sample

Predicted properties of the compound entered.

ID QJTBIAMBPGGIGI-UHFFFAOYSA-N
Formula C20H19NO5
IUPAC Name 1-[(3,4-dimethoxyphenyl)carbonyl]-6,7-dimethoxyisoquinoline
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3
Standard InChIKey (User Input) InChIKey=QJTBIAMBPGGIGI-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone | (6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methanone | 522-57-6 | EINECS 208-331-4 | (6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone | (6,7-Dimethoxy-1-isoquinolyl) (3,4-dimethoxyphenyl) ketone | InChI=1/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H | Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl (8CI) | Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)- (9CI) | NSC 94266 | ST065785 | 6,7-Dimethoxy-1-veratroylisoquinoline | Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl | Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)- | NSC94266 | Papaveraldin | Papaveraldine | Xanthaline
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -