N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C16H11N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C16H11N4OCl |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C16H11ClN4O/c17-15-13(9-12-3-1-2-4-14(12)20-15)10-19-21-16(22)11-5-7-18-8-6-11/h1-10H,(H,21,22) |
| InChIK | ZOQZTQBHMRQSJB-UHFFFAOYSA-N |
| TotalMolweight | 310.743 |
| Molweight | 310.743 |
| MonoisotopicMass | 310.062138 |
| CLogP | 3.2201 |
| CLogS | -4.131 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.53 |
| Relative PSA | 0.24709 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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