3-cyclopentyl-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
Formula:C23H25N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-cyclopentyl-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione is a drug-like molecule.
| MolName | 3-cyclopentyl-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione |
| MolecularFormula | C23H25N5O3 |
| Smiles | O=C(c(cc1)cc(NC(N2C3CCCC3)=O)c1C2=O)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C23H25N5O3/c29-21(27-13-11-26(12-14-27)20-7-3-4-10-24-20)16-8-9-18-19(15-16)25-23(31)28(22(18)30)17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,25,31) |
| InChIK | WQWUNZLMBHRFPL-UHFFFAOYSA-N |
| TotalMolweight | 419.484 |
| Molweight | 419.484 |
| MonoisotopicMass | 419.19574 |
| CLogP | 2.608 |
| CLogS | -4.232 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 309.47 |
| Relative PSA | 0.2333 |
| PolarSurfaceArea | 85.85 |
| Druglikeness | 4.6264 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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