3-(2,6-Dimethoxyphenyl)-2-methyl-4(3H)-quinazolinone
PubChem CID: 626529
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| Compound Synonyms | SCHEMBL1962867, 3-(2,6-Dimethoxyphenyl)-2-methyl-4(3H)-quinazolinone, 3-(2,6-Dimethoxy-phenyl)-2-methyl-3H-quinazolin-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | COcccccc6ncC)nccc6=O))cccc6))))))))))OC |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1C2CCCCC2NCN1C1CCCCC1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,6-dimethoxyphenyl)-2-methylquinazolin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H16N2O3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2ncn1-c1ccccc1 |
| Inchi Key | NYWYOMASDTXBQG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3-(2,6-dimethoxyphenyl)-2-methyl-4(3h)-quinazolinone |
| Esol Class | Soluble |
| Functional Groups | c-n(c)c, c=O, cOC, cnc |
| Compound Name | 3-(2,6-Dimethoxyphenyl)-2-methyl-4(3H)-quinazolinone |
| Exact Mass | 296.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H16N2O3/c1-11-18-13-8-5-4-7-12(13)17(20)19(11)16-14(21-2)9-6-10-15(16)22-3/h4-10H,1-3H3 |
| Smiles | CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965