5,10-Dimethoxy-4-methyl-1H-benzo[g]quinolin-2-one
PubChem CID: 489939
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| Compound Synonyms | Kalasinamide, 5,10-Dimethoxy-4-methyl-1H-benzo[g]quinolin-2-one, 1-Aza-9,10-dimethoxy-4-methyl-2-oxo-1,2-dihydroanthracene |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10-dimethoxy-4-methyl-1H-benzo[g]quinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAOWKPPYWUJTPK-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.792 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.018 |
| Compound Name | 5,10-Dimethoxy-4-methyl-1H-benzo[g]quinolin-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 269.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.245559999999999 |
| Inchi | InChI=1S/C16H15NO3/c1-9-8-12(18)17-14-13(9)15(19-2)10-6-4-5-7-11(10)16(14)20-3/h4-8H,1-3H3,(H,17,18) |
| Smiles | CC1=CC(=O)NC2=C(C3=CC=CC=C3C(=C12)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Suberosa (Plant) Rel Props:Source_db:cmaup_ingredients