3-(3-hydroxypropyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C18H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-hydroxypropyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(3-hydroxypropyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C18H17N3O2 |
| Smiles | OCCCN(C(/C=C/c1cnccc1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C18H17N3O2/c22-12-4-11-21-17(9-8-14-5-3-10-19-13-14)20-16-7-2-1-6-15(16)18(21)23/h1-3,5-10,13,22H,4,11-12H2 |
| InChIK | BRAGKUJDIGCWQP-UHFFFAOYSA-N |
| TotalMolweight | 307.352 |
| Molweight | 307.352 |
| MonoisotopicMass | 307.132077 |
| CLogP | 1.748 |
| CLogS | -2.481 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.43 |
| Relative PSA | 0.21431 |
| PolarSurfaceArea | 65.79 |
| Druglikeness | 1.3859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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