N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
Formula:C23H32N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide is a drug-like molecule.
| MolName | N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide |
| MolecularFormula | C23H32N4O2 |
| Smiles | C[C@H](CCCC1)[C@@H]1NC(CN(C(CN1CCCCC1)=Nc1c2cccc1)C2=O)=O |
| InChI | InChI=1S/C23H32N4O2/c1-17-9-3-5-11-19(17)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-20-12-6-4-10-18(20)23(27)29/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,25,28)/t17-,19-/m1/s1 |
| InChIK | OMUGRPAXPCUJSF-IEBWSBKVSA-N |
| TotalMolweight | 396.533 |
| Molweight | 396.533 |
| MonoisotopicMass | 396.252526 |
| CLogP | 2.3771 |
| CLogS | -3.253 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.91 |
| Relative PSA | 0.18002 |
| PolarSurfaceArea | 65.01 |
| Druglikeness | 1.9752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide | 2 - N-[(1R,2R)-2-methylcyclohexyl]-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
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