6-chloro-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-2-amine
Formula:C20H14N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C20H14N5Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c3cnccc3)nc2cc1 |
| InChI | InChI=1S/C20H14ClN5/c21-16-8-9-18-17(11-16)19(15-6-2-1-3-7-15)25-20(24-18)26-23-13-14-5-4-10-22-12-14/h1-13H,(H,24,25,26) |
| InChIK | BIBXBMGMNQSSNO-UHFFFAOYSA-N |
| TotalMolweight | 359.819 |
| Molweight | 359.819 |
| MonoisotopicMass | 359.093772 |
| CLogP | 6.3194 |
| CLogS | -5.636 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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