6-amino-N-[(Z)-quinolin-6-ylmethylideneamino]hexanamide
Formula:C16H20N4O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-amino-N-[(Z)-quinolin-6-ylmethylideneamino]hexanamide is a drug-like molecule.
| MolName | 6-amino-N-[(Z)-quinolin-6-ylmethylideneamino]hexanamide |
| MolecularFormula | C16H20N4O |
| Smiles | NCCCCCC(N/N=C\c1cc2cccnc2cc1)=O |
| InChI | InChI=1S/C16H20N4O/c17-9-3-1-2-6-16(21)20-19-12-13-7-8-15-14(11-13)5-4-10-18-15/h4-5,7-8,10-12H,1-3,6,9,17H2,(H,20,21) |
| InChIK | IGDYRQJFBCPQDA-UHFFFAOYSA-N |
| TotalMolweight | 284.362 |
| Molweight | 284.362 |
| MonoisotopicMass | 284.163711 |
| CLogP | 2.5669 |
| CLogS | -3.906 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.91 |
| Relative PSA | 0.26165 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | -6.9793 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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