N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
Formula:C20H14N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine |
| MolecularFormula | C20H14N5Cl |
| Smiles | Clc1c(/C=N\Nc2nc(-c3cnccc3)nc3ccccc23)cccc1 |
| InChI | InChI=1S/C20H14ClN5/c21-17-9-3-1-6-14(17)13-23-26-20-16-8-2-4-10-18(16)24-19(25-20)15-7-5-11-22-12-15/h1-13H,(H,24,25,26) |
| InChIK | WCFHSOZHXSJKPO-UHFFFAOYSA-N |
| TotalMolweight | 359.819 |
| Molweight | 359.819 |
| MonoisotopicMass | 359.093772 |
| CLogP | 6.1941 |
| CLogS | -6.257 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.3 |
| Relative PSA | 0.20298 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off