2-(4-chlorophenyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C27H23N4O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C27H23N4O2Cl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C27H23ClN4O2/c28-21-9-7-20(8-10-21)26-17-24(23-3-1-2-4-25(23)30-26)27(33)31-29-18-19-5-11-22(12-6-19)32-13-15-34-16-14-32/h1-12,17-18H,13-16H2,(H,31,33) |
| InChIK | SNDQEPSITFDZIS-UHFFFAOYSA-N |
| TotalMolweight | 470.959 |
| Molweight | 470.959 |
| MonoisotopicMass | 470.150953 |
| CLogP | 5.5428 |
| CLogS | -7.044 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 357.37 |
| Relative PSA | 0.16938 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 5.1383 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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