(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
Formula:C19H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol is a drug-like molecule.
| MolName | (R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol |
| MolecularFormula | C19H22N2O |
| Smiles | C=C[C@@H]1[C@@H](CC2)C[C@H]([C@@H](c3ccnc4ccccc34)O)N2C1 |
| InChI | InChI=1S/C19H23N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,21-22H,1,8,10-12H2/t13-,14+,18-,19-/m1/s1 |
| InChIK | ZDLSEOJERKEPKN-GTYSZEQSSA-N |
| TotalMolweight | 294.397 |
| Molweight | 294.397 |
| MonoisotopicMass | 294.173213 |
| CLogP | 2.6804 |
| CLogS | -3.079 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.85 |
| Relative PSA | 0.12229 |
| PolarSurfaceArea | 36.36 |
| Druglikeness | 0.88095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol | 2 - (R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
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