2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C20H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C20H21N3O |
| Smiles | O=C(CN(CCC1)c2c1cccc2)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H21N3O/c24-20(22-21-14-6-10-17-8-2-1-3-9-17)16-23-15-7-12-18-11-4-5-13-19(18)23/h1-6,8-11,13-14H,7,12,15-16H2,(H,22,24) |
| InChIK | HMDPMGMNKYTCQS-UHFFFAOYSA-N |
| TotalMolweight | 319.407 |
| Molweight | 319.407 |
| MonoisotopicMass | 319.168462 |
| CLogP | 3.2406 |
| CLogS | -4.43 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.33 |
| Relative PSA | 0.1491 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 5.5171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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