2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C16H17N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C16H17N3O2 |
| Smiles | O=C(CN(CCC1)c2c1cccc2)N/N=C\c1ccco1 |
| InChI | InChI=1S/C16H17N3O2/c20-16(18-17-11-14-7-4-10-21-14)12-19-9-3-6-13-5-1-2-8-15(13)19/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,18,20) |
| InChIK | PMWUONZCDDIMGM-UHFFFAOYSA-N |
| TotalMolweight | 283.33 |
| Molweight | 283.33 |
| MonoisotopicMass | 283.132077 |
| CLogP | 2.411 |
| CLogS | -3.82 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.52 |
| Relative PSA | 0.23486 |
| PolarSurfaceArea | 57.84 |
| Druglikeness | 5.2716 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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