N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide
Formula:C29H27N4OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide |
| MolecularFormula | C29H27N4OF |
| Smiles | O=C(c1cc(N(CC2)CCN2c(cc2)ccc2F)nc2ccccc12)Nc1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C29H27FN4O/c30-22-9-12-24(13-10-22)33-14-16-34(17-15-33)28-19-26(25-6-1-2-7-27(25)32-28)29(35)31-23-11-8-20-4-3-5-21(20)18-23/h1-2,6-13,18-19H,3-5,14-17H2,(H,31,35) |
| InChIK | WAGRYPVTIBAVQN-UHFFFAOYSA-N |
| TotalMolweight | 466.558 |
| Molweight | 466.558 |
| MonoisotopicMass | 466.216889 |
| CLogP | 5.6637 |
| CLogS | -6.945 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.62 |
| Relative PSA | 0.12107 |
| PolarSurfaceArea | 48.47 |
| Druglikeness | 1.0762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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