N-[(Z)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C25H19N3O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C25H19N3O3BrF |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c(cc1)cc(Br)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C25H19BrFN3O3/c26-21-13-18(8-11-22(21)32-15-17-6-9-20(27)10-7-17)14-29-30-24(31)16-33-23-5-1-3-19-4-2-12-28-25(19)23/h1-14H,15-16H2,(H,30,31) |
| InChIK | VCRBSEPAYHGZNX-UHFFFAOYSA-N |
| TotalMolweight | 508.346 |
| Molweight | 508.346 |
| MonoisotopicMass | 507.059381 |
| CLogP | 5.2666 |
| CLogS | -6.696 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.61 |
| Relative PSA | 0.18995 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 1.0666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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