2-amino-N-phenyl-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H17N7O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-phenyl-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-phenyl-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H17N7O |
| Smiles | Nc1c(C(Nc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1cnccc1 |
| InChI | InChI=1S/C23H17N7O/c24-21-19(23(31)27-16-8-2-1-3-9-16)20-22(29-18-11-5-4-10-17(18)28-20)30(21)26-14-15-7-6-12-25-13-15/h1-14H,24H2,(H,27,31) |
| InChIK | IDMIDBFHWOJXJR-UHFFFAOYSA-N |
| TotalMolweight | 407.436 |
| Molweight | 407.436 |
| MonoisotopicMass | 407.149458 |
| CLogP | 3.1615 |
| CLogS | -7.749 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 309.95 |
| Relative PSA | 0.29379 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 5.6447 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
Click to Load Molecule:
1 - 2-amino-N-phenyl-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-phenyl-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off