3-(3-hydroxypropyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C19H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-hydroxypropyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(3-hydroxypropyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C19H18N2O2 |
| Smiles | OCCCN(C(/C=C/c1ccccc1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C19H18N2O2/c22-14-6-13-21-18(12-11-15-7-2-1-3-8-15)20-17-10-5-4-9-16(17)19(21)23/h1-5,7-12,22H,6,13-14H2 |
| InChIK | IHJPFOSWEULJIS-UHFFFAOYSA-N |
| TotalMolweight | 306.364 |
| Molweight | 306.364 |
| MonoisotopicMass | 306.136828 |
| CLogP | 2.7489 |
| CLogS | -3.276 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.67 |
| Relative PSA | 0.16839 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.3859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(3-hydroxypropyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one | 2 - 3-(3-hydroxypropyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off