N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C25H19N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C25H19N3O3Cl2 |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c(cccc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C25H19Cl2N3O3/c26-20-11-10-19(21(27)13-20)15-32-22-8-2-1-5-18(22)14-29-30-24(31)16-33-23-9-3-6-17-7-4-12-28-25(17)23/h1-14H,15-16H2,(H,30,31) |
| InChIK | HCCWVHHQSLXNOG-UHFFFAOYSA-N |
| TotalMolweight | 480.35 |
| Molweight | 480.35 |
| MonoisotopicMass | 479.080346 |
| CLogP | 5.6526 |
| CLogS | -7.02 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 358.47 |
| Relative PSA | 0.18685 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
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