N-[(E)-(2-morpholin-4-yl-1-quinoxalin-2-ylethylidene)amino]aniline
Formula:C20H21N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-morpholin-4-yl-1-quinoxalin-2-ylethylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(E)-(2-morpholin-4-yl-1-quinoxalin-2-ylethylidene)amino]aniline |
| MolecularFormula | C20H21N5O |
| Smiles | C(/C(/c1nc2ccccc2nc1)=N\Nc1ccccc1)N1CCOCC1 |
| InChI | InChI=1S/C20H21N5O/c1-2-6-16(7-3-1)23-24-20(15-25-10-12-26-13-11-25)19-14-21-17-8-4-5-9-18(17)22-19/h1-9,14,23H,10-13,15H2 |
| InChIK | URFQSAQQWCUPIH-UHFFFAOYSA-N |
| TotalMolweight | 347.421 |
| Molweight | 347.421 |
| MonoisotopicMass | 347.17461 |
| CLogP | 3.5329 |
| CLogS | -2.529 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.17 |
| Relative PSA | 0.21245 |
| PolarSurfaceArea | 62.64 |
| Druglikeness | 3.2548 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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