2-phenyl-N-[(Z)-quinolin-2-ylmethylideneamino]quinoline-4-carboxamide
Formula:C26H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-quinolin-2-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-quinolin-2-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C26H18N4O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1nc2ccccc2cc1 |
| InChI | InChI=1S/C26H18N4O/c31-26(30-27-17-20-15-14-19-10-4-6-12-23(19)28-20)22-16-25(18-8-2-1-3-9-18)29-24-13-7-5-11-21(22)24/h1-17H,(H,30,31) |
| InChIK | MBGAUCSOXXIUBJ-UHFFFAOYSA-N |
| TotalMolweight | 402.456 |
| Molweight | 402.456 |
| MonoisotopicMass | 402.148061 |
| CLogP | 5.6378 |
| CLogS | -6.935 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.47 |
| Relative PSA | 0.18487 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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