1-[(4-chlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C21H16N5OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C21H16N5OCl |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Cl)cc1)N/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C21H16ClN5O/c22-18-8-6-15(7-9-18)14-27-12-10-19(26-27)21(28)25-24-13-17-4-1-3-16-5-2-11-23-20(16)17/h1-13H,14H2,(H,25,28) |
| InChIK | WKYPPEMRMJPHNO-UHFFFAOYSA-N |
| TotalMolweight | 389.845 |
| Molweight | 389.845 |
| MonoisotopicMass | 389.104337 |
| CLogP | 3.5974 |
| CLogS | -4.744 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.25 |
| Relative PSA | 0.21807 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 7.2144 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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