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Predicted properties of the compound entered.

ID AAJKHKVPQUCTAY-UHFFFAOYSA-N
Formula C22H21N3O5
IUPAC Name ethyl 4-[N-({6-methyl-2H-[1,3]dioxolo[4,5-g]quinazolin-8-yl}methyl)acetamido]benzoate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H21N3O5/c1-4-28-22(27)15-5-7-16(8-6-15)25(14(3)26)11-19-17-9-20-21(30-12-29-20)10-18(17)23-13(2)24-19/h5-10H,4,11-12H2,1-3H3
Standard InChIKey (User Input) InChIKey=AAJKHKVPQUCTAY-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers ethyl 4-[acetyl-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)methyl]amino]benzoate | 4-[acetyl-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)methyl]amino]benzoic acid ethyl ester | ethyl 4-[ethanoyl-[(6-methyl-[1,3]dioxolo[4,5-g]quinazolin-8-yl)methyl]amino]benzoate | Ethyl 4-(acetyl[(6-methyl[1,3]dioxolo[4,5-g]quinazolin-8-yl)methyl]amino)benzoate | Ethyl 4-[N-acetyl-N-(2-methyl-6,7-methylenedioxyquinazolin-4-ylmethyl)amino]benzoate
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
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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.

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