2-amino-N-(4-chlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H16N6OClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-(4-chlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-(4-chlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H16N6OClF |
| Smiles | Nc1c(C(Nc(cc2)ccc2Cl)=O)c2nc3ccccc3nc2n1/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C24H16ClFN6O/c25-15-7-11-17(12-8-15)29-24(33)20-21-23(31-19-4-2-1-3-18(19)30-21)32(22(20)27)28-13-14-5-9-16(26)10-6-14/h1-13H,27H2,(H,29,33) |
| InChIK | RWIMWCQIAZOAPW-UHFFFAOYSA-N |
| TotalMolweight | 458.883 |
| Molweight | 458.883 |
| MonoisotopicMass | 458.105814 |
| CLogP | 4.8692 |
| CLogS | -9.594 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 332.96 |
| Relative PSA | 0.24054 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 4.3277 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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