N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-2-carboxamide
Formula:C21H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C21H20N4O2 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C21H20N4O2/c26-21(20-10-7-17-3-1-2-4-19(17)23-20)24-22-15-16-5-8-18(9-6-16)25-11-13-27-14-12-25/h1-10,15H,11-14H2,(H,24,26) |
| InChIK | VUWSCLLPTKQZLM-UHFFFAOYSA-N |
| TotalMolweight | 360.416 |
| Molweight | 360.416 |
| MonoisotopicMass | 360.158626 |
| CLogP | 3.2406 |
| CLogS | -4.554 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.19 |
| Relative PSA | 0.2145 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 5.1193 |
| 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 | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]quinoline-2-carboxamide
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