5-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Formula:C22H15N5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 5-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C22H15N5S |
| Smiles | C(c1cccc2cccnc12)=N\Nc1c(c(-c2ccccc2)cs2)c2ncn1 |
| InChI | InChI=1S/C22H15N5S/c1-2-6-15(7-3-1)18-13-28-22-19(18)21(24-14-25-22)27-26-12-17-9-4-8-16-10-5-11-23-20(16)17/h1-14H,(H,24,25,27) |
| InChIK | MPOMNNVDGSTWGZ-UHFFFAOYSA-N |
| TotalMolweight | 381.462 |
| Molweight | 381.462 |
| MonoisotopicMass | 381.104815 |
| CLogP | 6.6397 |
| CLogS | -7.428 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.42 |
| Relative PSA | 0.26252 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | 2.86 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 5-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine | 2 - 5-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off