3-(2-Hydroxyethyl)quinazolin-4(3H)-one
PubChem CID: 12943120
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| Compound Synonyms | 3-(2-Hydroxyethyl)quinazolin-4(3H)-one, SCHEMBL875704, CHEMBL1163168, OCFIUNGSKQZESJ-UHFFFAOYSA-N, STL558517, AKOS009224160, 3-(2-hydroxyethyl)quinazoline-4(3H)-one, 3-(2-hydroxyethyl)quinazoline-4 (3H)-one, 3-(2-HYDROXYETHYL)QUINAZOLIN-4-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | OCCncnccc6=O))cccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1NCNC2CCCCC12 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-hydroxyethyl)quinazolin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10N2O2 |
| Scaffold Graph Node Bond Level | O=c1[nH]cnc2ccccc12 |
| Inchi Key | OCFIUNGSKQZESJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | echinozolinone |
| Esol Class | Very soluble |
| Functional Groups | CO, c=O, cn(c)C, cnc |
| Compound Name | 3-(2-Hydroxyethyl)quinazolin-4(3H)-one |
| Exact Mass | 190.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.2 |
| 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/C10H10N2O2/c13-6-5-12-7-11-9-4-2-1-3-8(9)10(12)14/h1-4,7,13H,5-6H2 |
| Smiles | C1=CC=C2C(=C1)C(=O)N(C=N2)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:9788185042138