2-(furan-2-yl)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C25H16N6O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(furan-2-yl)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-(furan-2-yl)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C25H16N6O4S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc(-c2ccco2)nc2ccccc12)=O)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C25H16N6O4S/c32-24(18-14-20(22-7-3-12-35-22)29-19-6-2-1-5-17(18)19)30-28-15-16-8-9-23(21(13-16)31(33)34)36-25-26-10-4-11-27-25/h1-15H,(H,30,32) |
| InChIK | KTLAIKVOXQRSFW-UHFFFAOYSA-N |
| TotalMolweight | 496.506 |
| Molweight | 496.506 |
| MonoisotopicMass | 496.095374 |
| CLogP | 4.0719 |
| CLogS | -6.566 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 368.24 |
| Relative PSA | 0.35558 |
| PolarSurfaceArea | 164.39 |
| Druglikeness | -0.58946 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(furan-2-yl)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide | 2 - 2-(furan-2-yl)-N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off