2-[(E)-2-phenylethenyl]-4-piperidin-1-ylquinazoline
Formula:C21H21N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-4-piperidin-1-ylquinazoline is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-4-piperidin-1-ylquinazoline |
| MolecularFormula | C21H21N3 |
| Smiles | C(CC1)CCN1c1nc(/C=C/c2ccccc2)nc2ccccc12 |
| InChI | InChI=1S/C21H21N3/c1-3-9-17(10-4-1)13-14-20-22-19-12-6-5-11-18(19)21(23-20)24-15-7-2-8-16-24/h1,3-6,9-14H,2,7-8,15-16H2 |
| InChIK | AYJXNZLKJVPEAH-UHFFFAOYSA-N |
| TotalMolweight | 315.419 |
| Molweight | 315.419 |
| MonoisotopicMass | 315.173547 |
| CLogP | 4.6942 |
| CLogS | -5.05 |
| H Acceptors | 3 |
| TotalSurfaceArea | 257.24 |
| Relative PSA | 0.09909 |
| PolarSurfaceArea | 29.02 |
| Druglikeness | 0.72489 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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