N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
Formula:C17H20N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide |
| MolecularFormula | C17H20N4OCl |
| Smiles | O=C(C[NH+]1CCCCC1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C17H19ClN4O/c18-17-14(10-13-6-2-3-7-15(13)20-17)11-19-21-16(23)12-22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,21,23)/p+1 |
| InChIK | HXOZJDHYGYGOOS-UHFFFAOYSA-O |
| TotalMolweight | 331.826 |
| Molweight | 331.826 |
| MonoisotopicMass | 331.132563 |
| CLogP | 1.094 |
| CLogS | -3.835 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.41 |
| Relative PSA | 0.23967 |
| PolarSurfaceArea | 58.79 |
| Druglikeness | 1.0445 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| 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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