6-chloro-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C25H15N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C25H15N5O2Cl2 |
| Smiles | Clc1ccc2nc(N/N=C\c(c(Cl)nc3c4)cc3cc3c4OCO3)nc(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C25H15Cl2N5O2/c26-17-6-7-19-18(10-17)23(14-4-2-1-3-5-14)31-25(30-19)32-28-12-16-8-15-9-21-22(34-13-33-21)11-20(15)29-24(16)27/h1-12H,13H2,(H,30,31,32) |
| InChIK | AUVIXELMMFHOLP-UHFFFAOYSA-N |
| TotalMolweight | 488.333 |
| Molweight | 488.333 |
| MonoisotopicMass | 487.060279 |
| CLogP | 8.4511 |
| CLogS | -8.347 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.58 |
| Relative PSA | 0.21957 |
| PolarSurfaceArea | 81.52 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-phenylquinazolin-2-amine | 2 - 6-chloro-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-phenylquinazolin-2-amine
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