6,8-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
Formula:C24H32N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6,8-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6,8-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one |
| MolecularFormula | C24H32N6O2 |
| Smiles | CC(CC1)CCN1[C@H](c1nnnn1C[C@H]1OCCC1)C1=Cc(cc(C)cc2C)c2NC1=O |
| InChI | InChI=1S/C24H32N6O2/c1-15-6-8-29(9-7-15)22(23-26-27-28-30(23)14-19-5-4-10-32-19)20-13-18-12-16(2)11-17(3)21(18)25-24(20)31/h11-13,15,19,22H,4-10,14H2,1-3H3,(H,25,31)/t19-,22-/m0/s1 |
| InChIK | BPTGALQBEHFOTB-UGKGYDQZSA-N |
| TotalMolweight | 436.558 |
| Molweight | 436.558 |
| MonoisotopicMass | 436.258674 |
| CLogP | 1.9005 |
| CLogS | -3.562 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 336.58 |
| Relative PSA | 0.23124 |
| PolarSurfaceArea | 85.17 |
| Druglikeness | 3.7559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - 6,8-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one | 2 - 6,8-dimethyl-3-[(S)-(4-methylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
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