| MolName | 6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine |
| MolecularFormula | C21H25N3O3 |
| Smiles | CC(C)(Cc(c1c2)cc(OC)c2OC)N=C1NN=Cc(cc1)ccc1OC |
| InChI | InChI=1S/C21H25N3O3/c1-21(2)12-15-10-18(26-4)19(27-5)11-17(15)20(23-21)24-22-13-14-6-8-16(25-3)9-7-14/h6-11,13H,12H2,1-5H3,(H,23,24) |
| InChIK | WMZISVPXHMWRGW-UHFFFAOYSA-N |
| TotalMolweight | 367.448 |
| Molweight | 367.448 |
| MonoisotopicMass | 367.189592 |
| CLogP | 3.6718 |
| CLogS | -4.667 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 294.18 |
| Relative PSA | 0.21919 |
| PolarSurfaceArea | 64.44 |
| Druglikeness | 2.6309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine | 2 - 6,7-dimethoxy-N-[(4-methoxyphenyl)methylideneamino]-3,3-dimethyl-4H-isoquinolin-1-amine