[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone
Formula:C26H22N3OF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone is a drug-like molecule.
| MolName | [6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone |
| MolecularFormula | C26H22N3OF |
| Smiles | O=C(c1ccccc1)c1cnc(ccc(F)c2)c2c1N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C26H22FN3O/c27-20-11-12-24-22(17-20)25(23(18-28-24)26(31)19-7-3-1-4-8-19)30-15-13-29(14-16-30)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2 |
| InChIK | QIGNTVWYOHRLRZ-UHFFFAOYSA-N |
| TotalMolweight | 411.479 |
| Molweight | 411.479 |
| MonoisotopicMass | 411.17469 |
| CLogP | 4.48 |
| CLogS | -6.186 |
| H Acceptors | 4 |
| TotalSurfaceArea | 312.38 |
| Relative PSA | 0.09959 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 3.5601 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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