| Pubchem ID | 17397543 |
|---|---|
| CAS | 8000-66-6 |
| IUPAC name | 2-(2-methoxyphenyl)-3-prop-2-enyl-1,2-dihydroquinazolin-4-one |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2CC=C |
| InCheykey | InChI=1S/C18H18N2O2/c1-3-12-20-17(14-9-5-7-11-16(14)22-2)19-15-10-6-4-8-13(15)18(20)21/h3-11,17,19H,1,12H2,2H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 294.354 | 1 | 3 | 4 | 41.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |