3-morpholin-4-yl-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide
Formula:C17H20N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-yl-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-morpholin-4-yl-N-[(Z)-quinolin-6-ylmethylideneamino]propanamide |
| MolecularFormula | C17H20N4O2 |
| Smiles | O=C(CCN1CCOCC1)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C17H20N4O2/c22-17(5-7-21-8-10-23-11-9-21)20-19-13-14-3-4-16-15(12-14)2-1-6-18-16/h1-4,6,12-13H,5,7-11H2,(H,20,22) |
| InChIK | OJPGRRIKYIZEAJ-UHFFFAOYSA-N |
| TotalMolweight | 312.372 |
| Molweight | 312.372 |
| MonoisotopicMass | 312.158626 |
| CLogP | 1.7907 |
| CLogS | -2.717 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.95 |
| Relative PSA | 0.24217 |
| PolarSurfaceArea | 66.82 |
| Druglikeness | 5.699 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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