4-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]morpholine
Formula:C20H19N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]morpholine is a drug-like molecule.
| MolName | 4-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]morpholine |
| MolecularFormula | C20H19N3O |
| Smiles | C(COCC1)N1c1nc(/C=C/c2ccccc2)nc2ccccc12 |
| InChI | InChI=1S/C20H19N3O/c1-2-6-16(7-3-1)10-11-19-21-18-9-5-4-8-17(18)20(22-19)23-12-14-24-15-13-23/h1-11H,12-15H2 |
| InChIK | UELZKZRKLDPFHR-UHFFFAOYSA-N |
| TotalMolweight | 317.391 |
| Molweight | 317.391 |
| MonoisotopicMass | 317.152812 |
| CLogP | 3.5302 |
| CLogS | -4.161 |
| H Acceptors | 4 |
| TotalSurfaceArea | 253.48 |
| Relative PSA | 0.14001 |
| PolarSurfaceArea | 38.25 |
| Druglikeness | 1.2177 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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