Glycophymoline
PubChem CID: 442907
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| Compound Synonyms | Glycophymoline, 2-benzyl-4-methoxyquinazoline, 72361-61-6, C16H14N2O, C10687, AC1L9DMB, 2-benzyl-4-methoxy-quinazoline, CHEBI:5480, DTXSID50332000, Q27106778 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCC3CCCCC3C2)CC1 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | COcncCcccccc6)))))))ncc6cccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | C1CCC(CC2NCC3CCCCC3N2)CC1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-benzyl-4-methoxyquinazoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H14N2O |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ncc3ccccc3n2)cc1 |
| Inchi Key | IYFCZALHGYMIIU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | glycophymoline |
| Esol Class | Moderately soluble |
| Functional Groups | cOC, cnc |
| Compound Name | Glycophymoline |
| Exact Mass | 250.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.111 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 250.29 |
| 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/C16H14N2O/c1-19-16-13-9-5-6-10-14(13)17-15(18-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3 |
| Smiles | COC1=NC(=NC2=CC=CC=C21)CC3=CC=CC=C3 |
| 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 Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788185042114