4-azido-3-[(Z)-C-methyl-N-(4-nitroanilino)carbonimidoyl]-1-phenylquinolin-2-one
Formula:C23H17N7O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-azido-3-[(Z)-C-methyl-N-(4-nitroanilino)carbonimidoyl]-1-phenylquinolin-2-one is not a drug-like molecule.
| MolName | 4-azido-3-[(Z)-C-methyl-N-(4-nitroanilino)carbonimidoyl]-1-phenylquinolin-2-one |
| MolecularFormula | C23H17N7O3 |
| Smiles | C/C(/C(C(N(c1ccccc1)c1c2cccc1)=O)=C2N=[N+]=[N-])=N/Nc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C23H17N7O3/c1-15(25-26-16-11-13-18(14-12-16)30(32)33)21-22(27-28-24)19-9-5-6-10-20(19)29(23(21)31)17-7-3-2-4-8-17/h2-14,26H,1H3 |
| InChIK | BTHKPRAPADNMQM-UHFFFAOYSA-N |
| TotalMolweight | 439.434 |
| Molweight | 439.434 |
| MonoisotopicMass | 439.139288 |
| CLogP | 5.1392 |
| CLogS | -5.987 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 331.25 |
| Relative PSA | 0.32414 |
| PolarSurfaceArea | 116.48 |
| Druglikeness | -6.0147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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