2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C22H19N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C22H19N5O3 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(COc2cccc3cccnc23)=O)c1)=O |
| InChI | InChI=1S/C22H19N5O3/c23-20(28)13-27-12-16(17-7-1-2-8-18(17)27)11-25-26-21(29)14-30-19-9-3-5-15-6-4-10-24-22(15)19/h1-12H,13-14H2,(H2,23,28)(H,26,29) |
| InChIK | FWDGQBVYGLFJQI-UHFFFAOYSA-N |
| TotalMolweight | 401.425 |
| Molweight | 401.425 |
| MonoisotopicMass | 401.14879 |
| CLogP | 1.8466 |
| CLogS | -3.951 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 307.94 |
| Relative PSA | 0.29928 |
| PolarSurfaceArea | 111.6 |
| Druglikeness | 6.9236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetamide
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