Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy-
PubChem CID: 157583
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| Compound Synonyms | Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy-, 79808-96-1, DTXSID50229926, DTXCID00152417 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COcccccc6)nCC))ccc6=O))cco5 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2OCCC21 |
| Classyfire Subclass | Furanoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-ethyl-7-methoxyfuro[2,3-b]quinolin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2occc12 |
| Inchi Key | NTWKCDCNZLHNHW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | taifine |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, cn(c)C, coc |
| Compound Name | Furo(2,3-b)quinolin-4(9H)-one, 9-ethyl-7-methoxy- |
| Exact Mass | 243.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 243.26 |
| 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/C14H13NO3/c1-3-15-12-8-9(17-2)4-5-10(12)13(16)11-6-7-18-14(11)15/h4-8H,3H2,1-2H3 |
| Smiles | CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=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 Ruta Chalepensis (Plant) Rel Props:Reference:ISBN:9788185042114