2-pyridin-2-yl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-4-carboxamide
Formula:C26H22N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-pyridin-2-yl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-pyridin-2-yl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C26H22N4O |
| Smiles | O=C(c1cc(-c2ncccc2)nc2ccccc12)N/N=C(/CCCC1)\c2c1cccc2 |
| InChI | InChI=1S/C26H22N4O/c31-26(30-29-23-14-5-2-10-18-9-1-3-11-19(18)23)21-17-25(24-15-7-8-16-27-24)28-22-13-6-4-12-20(21)22/h1,3-4,6-9,11-13,15-17H,2,5,10,14H2,(H,30,31) |
| InChIK | OGCMKLKCEAXDMH-UHFFFAOYSA-N |
| TotalMolweight | 406.488 |
| Molweight | 406.488 |
| MonoisotopicMass | 406.179361 |
| CLogP | 5.3726 |
| CLogS | -6.321 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.62 |
| Relative PSA | 0.18188 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | -1.8374 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-pyridin-2-yl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-4-carboxamide | 2 - 2-pyridin-2-yl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]quinoline-4-carboxamide
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