6-Aminobenzo(g)quinoxaline-5,10-dione
PubChem CID: 338713
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| Compound Synonyms | 72225-24-2, 6-Aminobenzo(g)quinoxaline-5,10-dione, DTXSID30320627, NSC362344, SCHEMBL11402335, DTXCID50271748, KNIQIOWAIMJMLY-UHFFFAOYSA-N, NSC-362344 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 85.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Deep Smiles | Ncccccc6C=O)cnccnc6C%10=O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2NCCNC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-aminobenzo[g]quinoxaline-5,10-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H7N3O2 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2nccnc21 |
| Inchi Key | KNIQIOWAIMJMLY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 6-aminobenzo(g) quinoxaline-5,10-dione |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cN, cnc |
| Compound Name | 6-Aminobenzo(g)quinoxaline-5,10-dione |
| Exact Mass | 225.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.054 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 225.2 |
| 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/C12H7N3O2/c13-7-3-1-2-6-8(7)12(17)10-9(11(6)16)14-4-5-15-10/h1-5H,13H2 |
| Smiles | C1=CC2=C(C(=C1)N)C(=O)C3=NC=CN=C3C2=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965