N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-2-carboxamide
Formula:C21H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C21H19N3O |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C(\CCCC1)/c2c1cccc2 |
| InChI | InChI=1S/C21H19N3O/c25-21(20-14-13-16-9-3-5-11-18(16)22-20)24-23-19-12-6-2-8-15-7-1-4-10-17(15)19/h1,3-5,7,9-11,13-14H,2,6,8,12H2,(H,24,25) |
| InChIK | MRIUVYJDDKNWTO-UHFFFAOYSA-N |
| TotalMolweight | 329.402 |
| Molweight | 329.402 |
| MonoisotopicMass | 329.152812 |
| CLogP | 4.5863 |
| CLogS | -5.67 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.1 |
| Relative PSA | 0.18062 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -1.8374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-2-carboxamide | 2 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-2-carboxamide
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