(E)-1-(4-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
Formula:C18H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one |
| MolecularFormula | C18H13N2OCl |
| Smiles | Nc(cc1)ccc1C(/C=C/c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C18H13ClN2O/c19-18-14(11-13-3-1-2-4-16(13)21-18)7-10-17(22)12-5-8-15(20)9-6-12/h1-11H,20H2 |
| InChIK | PTDBYZMVTFHSNH-UHFFFAOYSA-N |
| TotalMolweight | 308.767 |
| Molweight | 308.767 |
| MonoisotopicMass | 308.07164 |
| CLogP | 3.6459 |
| CLogS | -5.121 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.57 |
| Relative PSA | 0.16746 |
| PolarSurfaceArea | 55.98 |
| Druglikeness | 0.36 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one | 2 - (E)-1-(4-aminophenyl)-3-(2-chloroquinolin-3-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off