N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C31H24N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C31H24N4O2 |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2cc3ccccc3cc2)c2c1cccc2 |
| InChI | InChI=1S/C31H24N4O2/c36-30(21-37-29-13-5-9-24-10-6-16-32-31(24)29)34-33-18-26-20-35(28-12-4-3-11-27(26)28)19-22-14-15-23-7-1-2-8-25(23)17-22/h1-18,20H,19,21H2,(H,34,36) |
| InChIK | GWUDYXQAMRVSLA-UHFFFAOYSA-N |
| TotalMolweight | 484.558 |
| Molweight | 484.558 |
| MonoisotopicMass | 484.189926 |
| CLogP | 5.8166 |
| CLogS | -6.791 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 376.03 |
| Relative PSA | 0.1698 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide | 2 - N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
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