N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C22H17N4OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C22H17N4OCl |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C22H17ClN4O/c23-22-18(11-17-7-3-4-8-20(17)26-22)13-25-27-21(28)14-24-19-10-9-15-5-1-2-6-16(15)12-19/h1-13,24H,14H2,(H,27,28) |
| InChIK | LQJZSQNIRIQIHA-UHFFFAOYSA-N |
| TotalMolweight | 388.857 |
| Molweight | 388.857 |
| MonoisotopicMass | 388.109088 |
| CLogP | 4.7073 |
| CLogS | -6.354 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.59 |
| Relative PSA | 0.19771 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 5.0457 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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