2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H16N7O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H16N7O3Cl |
| Smiles | Nc1c(C(Nc(cc2)ccc2Cl)=O)c2nc3ccccc3nc2n1/N=C\c1cc([N+]([O-])=O)ccc1 |
| InChI | InChI=1S/C24H16ClN7O3/c25-15-8-10-16(11-9-15)28-24(33)20-21-23(30-19-7-2-1-6-18(19)29-21)31(22(20)26)27-13-14-4-3-5-17(12-14)32(34)35/h1-13H,26H2,(H,28,33) |
| InChIK | ZXZVIFVWYDJXLA-UHFFFAOYSA-N |
| TotalMolweight | 485.89 |
| Molweight | 485.89 |
| MonoisotopicMass | 485.100315 |
| CLogP | 3.8468 |
| CLogS | -9.74 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 350.28 |
| Relative PSA | 0.31549 |
| PolarSurfaceArea | 144.01 |
| Druglikeness | 0.56221 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off