3-Methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-2,6-dione
PubChem CID: 606442
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| Compound Synonyms | 3-Methylcanthin-2,6-dion, 3-Methylcanthine-2,6-dione, 82652-21-9, CHEMBL3401853, OSQVNYBFJBIHGZ-UHFFFAOYSA-N, 3-Methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-2,6-dione, DTXSID301311045, 3-Methyl-2H-indolo[3,2,1-de][1,5]naphthyridine-2,6(3H)-dione, 3-Methyl-3H-indolo[3,2,1-de][1,5]naphthyridine-2,6-dione # |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 585.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C15H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSQVNYBFJBIHGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.725 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.213 |
| Compound Name | 3-Methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-2,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.074 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1458512947368416 |
| Inchi | InChI=1S/C15H10N2O2/c1-16-12-6-7-13(18)17-11-5-3-2-4-9(11)10(15(12)17)8-14(16)19/h2-8H,1H3 |
| Smiles | CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celastrus Angulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients