6-bromo-4-phenyl-N-[(Z)-quinolin-7-ylmethylideneamino]quinazolin-2-amine
Formula:C24H16N5Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
6-bromo-4-phenyl-N-[(Z)-quinolin-7-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-4-phenyl-N-[(Z)-quinolin-7-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C24H16N5Br |
| Smiles | Brc1cc2c(-c3ccccc3)nc(N/N=C\c3cc4ncccc4cc3)nc2cc1 |
| InChI | InChI=1S/C24H16BrN5/c25-19-10-11-21-20(14-19)23(18-5-2-1-3-6-18)29-24(28-21)30-27-15-16-8-9-17-7-4-12-26-22(17)13-16/h1-15H,(H,28,29,30) |
| InChIK | RNMRNCYRNUPCHW-UHFFFAOYSA-N |
| TotalMolweight | 454.33 |
| Molweight | 454.33 |
| MonoisotopicMass | 453.058906 |
| CLogP | 7.7555 |
| CLogS | -7.235 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.11 |
| Relative PSA | 0.17847 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 0.63254 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| 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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