7-chloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]quinolin-4-amine
Formula:C23H16N5ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C23H16N5ClS |
| Smiles | Clc1cc2nccc(N/N=C\c3cn(-c4ccccc4)nc3-c3cccs3)c2cc1 |
| InChI | InChI=1S/C23H16ClN5S/c24-17-8-9-19-20(10-11-25-21(19)13-17)27-26-14-16-15-29(18-5-2-1-3-6-18)28-23(16)22-7-4-12-30-22/h1-15H,(H,25,27) |
| InChIK | ZIEMQUZZNPPFKS-UHFFFAOYSA-N |
| TotalMolweight | 429.934 |
| Molweight | 429.934 |
| MonoisotopicMass | 429.081492 |
| CLogP | 6.7054 |
| CLogS | -6.025 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.44 |
| Relative PSA | 0.22443 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | 5.5333 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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