N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
Formula:C30H19N4OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide |
| MolecularFormula | C30H19N4OCl |
| Smiles | O=C(c1cc(-c2ccncc2)nc2ccccc12)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C30H19ClN4O/c31-29-23-10-3-1-7-20(23)26(21-8-2-4-11-24(21)29)18-33-35-30(36)25-17-28(19-13-15-32-16-14-19)34-27-12-6-5-9-22(25)27/h1-18H,(H,35,36) |
| InChIK | MTPWNZXIAFJWIA-UHFFFAOYSA-N |
| TotalMolweight | 486.961 |
| Molweight | 486.961 |
| MonoisotopicMass | 486.124738 |
| CLogP | 7.2617 |
| CLogS | -9.358 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 363.49 |
| Relative PSA | 0.15943 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4715 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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