(E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Formula:C21H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-pyridin-2-yl-1-[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C21H20N4O3 |
| Smiles | O=C(/C=C/c1ncccc1)N1CC(COc2ncnc3ccccc23)OCC1 |
| InChI | InChI=1S/C21H20N4O3/c26-20(9-8-16-5-3-4-10-22-16)25-11-12-27-17(13-25)14-28-21-18-6-1-2-7-19(18)23-15-24-21/h1-10,15,17H,11-14H2/t17-/m1/s1 |
| InChIK | MQGFJWMIOAQBTD-QGZVFWFLSA-N |
| TotalMolweight | 376.415 |
| Molweight | 376.415 |
| MonoisotopicMass | 376.153541 |
| CLogP | 2.1647 |
| CLogS | -3.275 |
| H Acceptors | 7 |
| TotalSurfaceArea | 292.49 |
| Relative PSA | 0.23761 |
| PolarSurfaceArea | 77.44 |
| Druglikeness | 3.0083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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