6-chloro-4-phenyl-N-[(Z)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
Formula:C24H16N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-4-phenyl-N-[(Z)-quinolin-4-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-4-phenyl-N-[(Z)-quinolin-4-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C24H16N5Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c3ccnc4ccccc34)nc2cc1 |
| InChI | InChI=1S/C24H16ClN5/c25-18-10-11-22-20(14-18)23(16-6-2-1-3-7-16)29-24(28-22)30-27-15-17-12-13-26-21-9-5-4-8-19(17)21/h1-15H,(H,28,29,30) |
| InChIK | RWWBOKSJUMJOJX-UHFFFAOYSA-N |
| TotalMolweight | 409.879 |
| Molweight | 409.879 |
| MonoisotopicMass | 409.109422 |
| CLogP | 7.6363 |
| CLogS | -7.137 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.9 |
| Relative PSA | 0.18032 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-4-phenyl-N-[(Z)-quinolin-4-ylmethylideneamino]quinazolin-2-amine | 2 - 6-chloro-4-phenyl-N-[(Z)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off