(2R)-N-[(Z)-quinolin-8-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide
Formula:C15H17N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2R)-N-[(Z)-quinolin-8-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-quinolin-8-ylmethylideneamino]pyrrolidin-1-ium-2-carboxamide |
| MolecularFormula | C15H17N4O |
| Smiles | O=C([C@@H]1[NH2+]CCC1)N/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C15H16N4O/c20-15(13-7-3-8-16-13)19-18-10-12-5-1-4-11-6-2-9-17-14(11)12/h1-2,4-6,9-10,13,16H,3,7-8H2,(H,19,20)/p+1/t13-/m1/s1 |
| InChIK | FNGFXNBRKODNPF-CYBMUJFWSA-O |
| TotalMolweight | 269.327 |
| Molweight | 269.327 |
| MonoisotopicMass | 269.140236 |
| CLogP | 1.5627 |
| CLogS | -3.506 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 208.61 |
| Relative PSA | 0.26231 |
| PolarSurfaceArea | 70.96 |
| Druglikeness | 3.9206 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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