2-amino-N-[(4-fluorophenyl)methyl]-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H18N7OF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(4-fluorophenyl)methyl]-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-[(4-fluorophenyl)methyl]-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H18N7OF |
| Smiles | Nc1c(C(NCc(cc2)ccc2F)=O)c2nc3ccccc3nc2n1/N=C\c1cnccc1 |
| InChI | InChI=1S/C24H18FN7O/c25-17-9-7-15(8-10-17)13-28-24(33)20-21-23(31-19-6-2-1-5-18(19)30-21)32(22(20)26)29-14-16-4-3-11-27-12-16/h1-12,14H,13,26H2,(H,28,33) |
| InChIK | QWYLMBNMLXVIGL-UHFFFAOYSA-N |
| TotalMolweight | 439.453 |
| Molweight | 439.453 |
| MonoisotopicMass | 439.155686 |
| CLogP | 2.9717 |
| CLogS | -7.879 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 330.06 |
| Relative PSA | 0.27589 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 4.6236 |
| 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 | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-amino-N-[(4-fluorophenyl)methyl]-1-[(Z)-pyridin-3-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-[(4-fluorophenyl)methyl]-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