6-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinolin-2-amine
Formula:C31H22N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-phenylquinolin-2-amine |
| MolecularFormula | C31H22N5Cl |
| Smiles | Clc(ccc1nc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c2)cc1c2-c1ccccc1 |
| InChI | InChI=1S/C31H22ClN5/c32-25-16-17-29-28(18-25)27(22-10-4-1-5-11-22)19-30(34-29)35-33-20-24-21-37(26-14-8-3-9-15-26)36-31(24)23-12-6-2-7-13-23/h1-21H,(H,34,35) |
| InChIK | CWGSCGMIPQIWPJ-UHFFFAOYSA-N |
| TotalMolweight | 500.004 |
| Molweight | 500.004 |
| MonoisotopicMass | 499.156372 |
| CLogP | 8.6925 |
| CLogS | -8.715 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 385.26 |
| Relative PSA | 0.1344 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 4.0879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 33 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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