6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C26H17N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C26H17N5O2Cl2 |
| Smiles | Clc1ccc2nc(N/N=C\c(c(Cl)nc3c4)cc3cc3c4OCCO3)nc(-c3ccccc3)c2c1 |
| InChI | InChI=1S/C26H17Cl2N5O2/c27-18-6-7-20-19(12-18)24(15-4-2-1-3-5-15)32-26(31-20)33-29-14-17-10-16-11-22-23(35-9-8-34-22)13-21(16)30-25(17)28/h1-7,10-14H,8-9H2,(H,31,32,33) |
| InChIK | FCUAJUWXNZGNLS-UHFFFAOYSA-N |
| TotalMolweight | 502.36 |
| Molweight | 502.36 |
| MonoisotopicMass | 501.075929 |
| CLogP | 8.3185 |
| CLogS | -7.818 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 359.34 |
| Relative PSA | 0.21116 |
| PolarSurfaceArea | 81.52 |
| Druglikeness | -5.2075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine | 2 - 6-chloro-N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-phenylquinazolin-2-amine
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