7-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-4-amine
Formula:C25H18N5Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C25H18N5Cl |
| Smiles | Clc1cc2nccc(N/N=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c2cc1 |
| InChI | InChI=1S/C25H18ClN5/c26-20-11-12-22-23(13-14-27-24(22)15-20)29-28-16-19-17-31(21-9-5-2-6-10-21)30-25(19)18-7-3-1-4-8-18/h1-17H,(H,27,29) |
| InChIK | FGCPNGNJSNPOIF-UHFFFAOYSA-N |
| TotalMolweight | 423.906 |
| Molweight | 423.906 |
| MonoisotopicMass | 423.125072 |
| CLogP | 6.6819 |
| CLogS | -6.104 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.5 |
| Relative PSA | 0.15908 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 4.0879 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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