2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H17N6O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H17N6O2Cl |
| Smiles | Nc1c(C(Nc(cc2)ccc2Cl)=O)c2nc3ccccc3nc2n1/N=C\c1cc(O)ccc1 |
| InChI | InChI=1S/C24H17ClN6O2/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(32)12-14/h1-13,32H,26H2,(H,28,33) |
| InChIK | MJJVUIIEEGAOPD-UHFFFAOYSA-N |
| TotalMolweight | 456.892 |
| Molweight | 456.892 |
| MonoisotopicMass | 456.110151 |
| CLogP | 4.4227 |
| CLogS | -8.984 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 332.96 |
| Relative PSA | 0.27988 |
| PolarSurfaceArea | 118.42 |
| Druglikeness | 5.6517 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| 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 | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-(4-chlorophenyl)-1-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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