N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C16H18N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C16H18N4O2Cl |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C16H17ClN4O2/c17-16-13(9-12-3-1-2-4-14(12)19-16)10-18-20-15(22)11-21-5-7-23-8-6-21/h1-4,9-10H,5-8,11H2,(H,20,22)/p+1 |
| InChIK | YLEBXOYGGJLSIC-UHFFFAOYSA-O |
| TotalMolweight | 333.798 |
| Molweight | 333.798 |
| MonoisotopicMass | 333.111828 |
| CLogP | -0.07 |
| CLogS | -2.946 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.65 |
| Relative PSA | 0.28071 |
| PolarSurfaceArea | 68.02 |
| Druglikeness | 2.1378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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