7-Methoxy-2-methylquinoline-5,8-dione
PubChem CID: 10655754
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-methoxy-2-methylquinoline-5,8-dione, CHEMBL388378, SCHEMBL8580396, QNPULXSZXDVOJE-UHFFFAOYSA-N, 7-methoxy-2-methyl-5,8-quinolinedione |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 56.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2CCCCC12 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | COC=CC=O)ccC6=O))nccc6))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCC(O)C2NCCCC12 |
| Classyfire Subclass | Quinoline quinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-2-methylquinoline-5,8-dione |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H9NO3 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2ncccc21 |
| Inchi Key | QNPULXSZXDVOJE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 7-methoxy-2-mmethylquinoline-5,8-dione |
| Esol Class | Soluble |
| Functional Groups | COC1=CC(=O)ccC1=O, cnc |
| Compound Name | 7-Methoxy-2-methylquinoline-5,8-dione |
| Exact Mass | 203.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 203.19 |
| 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/C11H9NO3/c1-6-3-4-7-8(13)5-9(15-2)11(14)10(7)12-6/h3-5H,1-2H3 |
| Smiles | CC1=NC2=C(C=C1)C(=O)C=C(C2=O)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751