4(3H)-Quinazolinone, 7-hydroxy-3-(2-hydroxyethyl)-
PubChem CID: 5491578
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| Compound Synonyms | 7-Hydroxyechinozolinone, 4(3H)-Quinazolinone, 7-hydroxy-3-(2-hydroxyethyl)-, 125386-83-6, DTXSID80154757, 7-hydroxy-3-(2-hydroxyethyl)quinazolin-4-one, DTXCID3077248 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 73.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | OCCncnccc6=O))cccc6)O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1NCNC2CCCCC12 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(2-hydroxyethyl)quinazolin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10N2O3 |
| Scaffold Graph Node Bond Level | O=c1[nH]cnc2ccccc12 |
| Inchi Key | OTAAVXRYMFBGJJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 7-hydroxyechinozolinone |
| Esol Class | Very soluble |
| Functional Groups | CO, c=O, cO, cn(c)C, cnc |
| Compound Name | 4(3H)-Quinazolinone, 7-hydroxy-3-(2-hydroxyethyl)- |
| Exact Mass | 206.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.2 |
| 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/C10H10N2O3/c13-4-3-12-6-11-9-5-7(14)1-2-8(9)10(12)15/h1-2,5-6,13-14H,3-4H2 |
| Smiles | C1=CC2=C(C=C1O)N=CN(C2=O)CCO |
| 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 Echinops Echinatus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145