6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine
Formula:C23H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C23H17N4O2Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c(cc3)cc4c3OCCO4)nc2cc1 |
| InChI | InChI=1S/C23H17ClN4O2/c24-17-7-8-19-18(13-17)22(16-4-2-1-3-5-16)27-23(26-19)28-25-14-15-6-9-20-21(12-15)30-11-10-29-20/h1-9,12-14H,10-11H2,(H,26,27,28) |
| InChIK | IUVZISYPMGSVEE-UHFFFAOYSA-N |
| TotalMolweight | 416.867 |
| Molweight | 416.867 |
| MonoisotopicMass | 416.104003 |
| CLogP | 7.2991 |
| CLogS | -6.613 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.56 |
| Relative PSA | 0.20901 |
| PolarSurfaceArea | 68.63 |
| Druglikeness | -5.2075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine | 2 - 6-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-phenylquinazolin-2-amine
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