(E)-2-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile
Formula:C22H18N3OCl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-2-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile |
| MolecularFormula | C22H18N3OCl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C/c1cc2ccccc2nc1N1CCOCC1 |
| InChI | InChI=1S/C22H18ClN3O/c23-20-7-5-16(6-8-20)19(15-24)14-18-13-17-3-1-2-4-21(17)25-22(18)26-9-11-27-12-10-26/h1-8,13-14H,9-12H2 |
| InChIK | LEHBVELCAIIJKJ-UHFFFAOYSA-N |
| TotalMolweight | 375.858 |
| Molweight | 375.858 |
| MonoisotopicMass | 375.113839 |
| CLogP | 4.275 |
| CLogS | -5.699 |
| H Acceptors | 4 |
| TotalSurfaceArea | 290.06 |
| Relative PSA | 0.13128 |
| PolarSurfaceArea | 49.15 |
| Druglikeness | -2.7457 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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