6-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C24H15N5BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C24H15N5BrCl |
| Smiles | Clc1nc2ccccc2cc1/C=N\Nc1nc(-c2ccccc2)c(cc(cc2)Br)c2n1 |
| InChI | InChI=1S/C24H15BrClN5/c25-18-10-11-21-19(13-18)22(15-6-2-1-3-7-15)30-24(29-21)31-27-14-17-12-16-8-4-5-9-20(16)28-23(17)26/h1-14H,(H,29,30,31) |
| InChIK | GVDGQBXGQXGJEO-UHFFFAOYSA-N |
| TotalMolweight | 488.775 |
| Molweight | 488.775 |
| MonoisotopicMass | 487.019933 |
| CLogP | 8.4589 |
| CLogS | -7.734 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 328.53 |
| Relative PSA | 0.17009 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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