4-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]morpholine
Formula:C19H17N2O3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]morpholine is a drug-like molecule.
| MolName | 4-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]morpholine |
| MolecularFormula | C19H17N2O3ClS |
| Smiles | O=S(c1ccccc1)(c1cnc(ccc(Cl)c2)c2c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H17ClN2O3S/c20-14-6-7-17-16(12-14)19(22-8-10-25-11-9-22)18(13-21-17)26(23,24)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2 |
| InChIK | WONUSFJKGFYVFK-UHFFFAOYSA-N |
| TotalMolweight | 388.874 |
| Molweight | 388.874 |
| MonoisotopicMass | 388.06484 |
| CLogP | 2.9558 |
| CLogS | -4.697 |
| H Acceptors | 5 |
| TotalSurfaceArea | 272.22 |
| Relative PSA | 0.19506 |
| PolarSurfaceArea | 67.88 |
| Druglikeness | -6.798 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]morpholine | 2 - 4-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]morpholine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off