N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
Formula:C26H23N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide |
| MolecularFormula | C26H23N5O2 |
| Smiles | O=C(c1cc(-c2ccncc2)nc2ccccc12)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C26H23N5O2/c32-26(30-28-18-19-5-7-21(8-6-19)31-13-15-33-16-14-31)23-17-25(20-9-11-27-12-10-20)29-24-4-2-1-3-22(23)24/h1-12,17-18H,13-16H2,(H,30,32) |
| InChIK | AJPZPDAGWATHAS-UHFFFAOYSA-N |
| TotalMolweight | 437.502 |
| Molweight | 437.502 |
| MonoisotopicMass | 437.185175 |
| CLogP | 3.9359 |
| CLogS | -5.513 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.71 |
| Relative PSA | 0.20986 |
| PolarSurfaceArea | 79.71 |
| Druglikeness | 5.1193 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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