(6,7-Dimethoxy-4-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanone
PubChem CID: 90894083
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 57.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6,7-dimethoxy-4-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMNBPQBFVRMVHP-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.209 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.253 |
| Compound Name | (6,7-Dimethoxy-4-methylisoquinolin-1-yl)-(4-methoxyphenyl)methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 337.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.633125 |
| Inchi | InChI=1S/C20H19NO4/c1-12-11-21-19(20(22)13-5-7-14(23-2)8-6-13)16-10-18(25-4)17(24-3)9-15(12)16/h5-11H,1-4H3 |
| Smiles | CC1=CN=C(C2=CC(=C(C=C12)OC)OC)C(=O)C3=CC=C(C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Seriphidium Finitum (Plant) Rel Props:Source_db:cmaup_ingredients