2-morpholin-4-yl-N-(1,3-thiazol-3-ium-2-yl)quinoline-4-carboxamide
Formula:C17H17N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-yl-N-(1,3-thiazol-3-ium-2-yl)quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-morpholin-4-yl-N-(1,3-thiazol-3-ium-2-yl)quinoline-4-carboxamide |
| MolecularFormula | C17H17N4O2S |
| Smiles | O=C(c1cc(N2CCOCC2)nc2ccccc12)Nc1[nH+]ccs1 |
| InChI | InChI=1S/C17H16N4O2S/c22-16(20-17-18-5-10-24-17)13-11-15(21-6-8-23-9-7-21)19-14-4-2-1-3-12(13)14/h1-5,10-11H,6-9H2,(H,18,20,22)/p+1 |
| InChIK | SJLBRSASZYCGKR-UHFFFAOYSA-O |
| TotalMolweight | 341.414 |
| Molweight | 341.414 |
| MonoisotopicMass | 341.107221 |
| CLogP | 0.791 |
| CLogS | -4.195 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 241.16 |
| Relative PSA | 0.28769 |
| PolarSurfaceArea | 96.84 |
| Druglikeness | 2.3741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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