[[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] furan-2-carboxylate
Formula:C25H22N2O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C25H22N2O7 |
| Smiles | COc(ccc(C(c(c1c2)nccc1cc(OC)c2OC)=NOC(c1ccco1)=O)c1)c1OC |
| InChI | InChI=1S/C25H22N2O7/c1-29-18-8-7-16(13-20(18)30-2)23(27-34-25(28)19-6-5-11-33-19)24-17-14-22(32-4)21(31-3)12-15(17)9-10-26-24/h5-14H,1-4H3 |
| InChIK | JZRZXLYLVLVQIJ-UHFFFAOYSA-N |
| TotalMolweight | 462.457 |
| Molweight | 462.457 |
| MonoisotopicMass | 462.142703 |
| CLogP | 4.271 |
| CLogS | -6.136 |
| H Acceptors | 9 |
| TotalSurfaceArea | 355.59 |
| Relative PSA | 0.28018 |
| PolarSurfaceArea | 101.61 |
| Druglikeness | -1.8154 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] furan-2-carboxylate | 2 - [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off