N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-1-phenylmethanamine
Formula:C18H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C18H14N3O2Cl |
| Smiles | Clc(c(/C=N\NCc1ccccc1)cc1c2)nc1cc1c2OCO1 |
| InChI | InChI=1S/C18H14ClN3O2/c19-18-14(10-21-20-9-12-4-2-1-3-5-12)6-13-7-16-17(24-11-23-16)8-15(13)22-18/h1-8,10,20H,9,11H2 |
| InChIK | FWPCLTCVUZEVND-UHFFFAOYSA-N |
| TotalMolweight | 339.781 |
| Molweight | 339.781 |
| MonoisotopicMass | 339.077454 |
| CLogP | 4.25 |
| CLogS | -5.508 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.04 |
| Relative PSA | 0.21401 |
| PolarSurfaceArea | 55.74 |
| Druglikeness | 2.5571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-1-phenylmethanamine | 2 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-1-phenylmethanamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off