2-amino-N-cyclopentyl-1-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H20N6OCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-cyclopentyl-1-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-cyclopentyl-1-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H20N6OCl2 |
| Smiles | Nc1c(C(NC2CCCC2)=O)c2nc3ccccc3nc2n1/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C23H20Cl2N6O/c24-15-10-9-13(11-16(15)25)12-27-31-21(26)19(23(32)28-14-5-1-2-6-14)20-22(31)30-18-8-4-3-7-17(18)29-20/h3-4,7-12,14H,1-2,5-6,26H2,(H,28,32) |
| InChIK | CBXGHWCTCDKAPD-UHFFFAOYSA-N |
| TotalMolweight | 467.359 |
| Molweight | 467.359 |
| MonoisotopicMass | 466.107563 |
| CLogP | 4.8794 |
| CLogS | -9.813 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 336.31 |
| Relative PSA | 0.23814 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 3.6256 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-N-cyclopentyl-1-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-cyclopentyl-1-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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