6-chloro-4-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]quinazolin-2-amine
Formula:C24H16N5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-4-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-4-phenyl-N-[(Z)-quinolin-8-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C24H16N5Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c3cccc4cccnc34)nc2cc1 |
| InChI | InChI=1S/C24H16ClN5/c25-19-11-12-21-20(14-19)23(17-6-2-1-3-7-17)29-24(28-21)30-27-15-18-9-4-8-16-10-5-13-26-22(16)18/h1-15H,(H,28,29,30) |
| InChIK | XWMAXNLYXZOHAJ-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 | high |
| 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 |
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