N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
Formula:C25H18N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide |
| MolecularFormula | C25H18N5O3Cl |
| Smiles | O=C(C(N/N=C\c1cc2ccccc2nc1Cl)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C25H18ClN5O3/c26-22-17(14-16-8-4-6-12-20(16)29-22)15-27-31-25(34)24(33)30-21-13-7-5-11-19(21)23(32)28-18-9-2-1-3-10-18/h1-15H,(H,28,32)(H,30,33)(H,31,34) |
| InChIK | QLVVAXPFAFNUDD-UHFFFAOYSA-N |
| TotalMolweight | 471.903 |
| Molweight | 471.903 |
| MonoisotopicMass | 471.109817 |
| CLogP | 4.3108 |
| CLogS | -6.242 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 353.95 |
| Relative PSA | 0.27117 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide | 2 - N'-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
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