(2S)-1-(3-formylquinolin-2-yl)pyrrolidine-2-carboxamide
Formula:C15H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-1-(3-formylquinolin-2-yl)pyrrolidine-2-carboxamide is a drug-like molecule.
| MolName | (2S)-1-(3-formylquinolin-2-yl)pyrrolidine-2-carboxamide |
| MolecularFormula | C15H15N3O2 |
| Smiles | NC([C@H](CCC1)N1c1nc2ccccc2cc1C=O)=O |
| InChI | InChI=1S/C15H15N3O2/c16-14(20)13-6-3-7-18(13)15-11(9-19)8-10-4-1-2-5-12(10)17-15/h1-2,4-5,8-9,13H,3,6-7H2,(H2,16,20)/t13-/m0/s1 |
| InChIK | YKBKFIGQVXHAME-ZDUSSCGKSA-N |
| TotalMolweight | 269.303 |
| Molweight | 269.303 |
| MonoisotopicMass | 269.116427 |
| CLogP | 1.4019 |
| CLogS | -3.822 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.01 |
| Relative PSA | 0.27521 |
| PolarSurfaceArea | 76.29 |
| Druglikeness | 3.0533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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