(Z)-N-(4-pyridin-2-ylpiperazin-1-yl)-1-quinolin-6-ylmethanimine
Formula:C19H19N5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-pyridin-2-ylpiperazin-1-yl)-1-quinolin-6-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-pyridin-2-ylpiperazin-1-yl)-1-quinolin-6-ylmethanimine |
| MolecularFormula | C19H19N5 |
| Smiles | C(CN(CC1)/N=C\c2cc3cccnc3cc2)N1c1ncccc1 |
| InChI | InChI=1S/C19H19N5/c1-2-8-21-19(5-1)23-10-12-24(13-11-23)22-15-16-6-7-18-17(14-16)4-3-9-20-18/h1-9,14-15H,10-13H2 |
| InChIK | CJMWSJPBAHVOAD-UHFFFAOYSA-N |
| TotalMolweight | 317.395 |
| Molweight | 317.395 |
| MonoisotopicMass | 317.164045 |
| CLogP | 2.7626 |
| CLogS | -3.614 |
| H Acceptors | 5 |
| TotalSurfaceArea | 252.04 |
| Relative PSA | 0.16089 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 6.7261 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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