2-(4-chlorophenyl)-3-[3-(2-nitrophenoxy)propyl]quinazolin-4-one
Formula:C23H18N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-3-[3-(2-nitrophenoxy)propyl]quinazolin-4-one is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-3-[3-(2-nitrophenoxy)propyl]quinazolin-4-one |
| MolecularFormula | C23H18N3O4Cl |
| Smiles | [O-][N+](c(cccc1)c1OCCCN(C(c(cc1)ccc1Cl)=Nc1c2cccc1)C2=O)=O |
| InChI | InChI=1S/C23H18ClN3O4/c24-17-12-10-16(11-13-17)22-25-19-7-2-1-6-18(19)23(28)26(22)14-5-15-31-21-9-4-3-8-20(21)27(29)30/h1-4,6-13H,5,14-15H2 |
| InChIK | WIZVTYKSYDFSFF-UHFFFAOYSA-N |
| TotalMolweight | 435.866 |
| Molweight | 435.866 |
| MonoisotopicMass | 435.098584 |
| CLogP | 4.0242 |
| CLogS | -5.559 |
| H Acceptors | 7 |
| TotalSurfaceArea | 320.67 |
| Relative PSA | 0.21368 |
| PolarSurfaceArea | 87.72 |
| Druglikeness | -2.2918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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