N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
Formula:C25H21N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C25H21N3O3 |
| Smiles | Cc1cccc(-c2nc3ccccc3c(C(NN=Cc(cc3)cc(O)c3OC)=O)c2)c1 |
| InChI | InChI=1S/C25H21N3O3/c1-16-6-5-7-18(12-16)22-14-20(19-8-3-4-9-21(19)27-22)25(30)28-26-15-17-10-11-24(31-2)23(29)13-17/h3-15,29H,1-2H3,(H,28,30) |
| InChIK | BAVOOOXITVEAQN-UHFFFAOYSA-N |
| TotalMolweight | 411.46 |
| Molweight | 411.46 |
| MonoisotopicMass | 411.158292 |
| CLogP | 5.196 |
| CLogS | -6.271 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 320.98 |
| Relative PSA | 0.21833 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | 4.2358 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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