2-amino-N-(4-chlorophenyl)-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H16N7OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-(4-chlorophenyl)-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-(4-chlorophenyl)-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H16N7OCl |
| Smiles | Nc1c(C(Nc(cc2)ccc2Cl)=O)c2nc3ccccc3nc2n1/N=C\c1cnccc1 |
| InChI | InChI=1S/C23H16ClN7O/c24-15-7-9-16(10-8-15)28-23(32)19-20-22(30-18-6-2-1-5-17(18)29-20)31(21(19)25)27-13-14-4-3-11-26-12-14/h1-13H,25H2,(H,28,32) |
| InChIK | IUBMFWMVMFZJSO-UHFFFAOYSA-N |
| TotalMolweight | 441.881 |
| Molweight | 441.881 |
| MonoisotopicMass | 441.110485 |
| CLogP | 3.7675 |
| CLogS | -8.485 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 325.37 |
| Relative PSA | 0.27987 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 5.6677 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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