(E)-3-(furan-2-yl)-1-[4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]prop-2-en-1-one
Formula:C25H20N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-[4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-[4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]prop-2-en-1-one |
| MolecularFormula | C25H20N2O4 |
| Smiles | [O-][N+](c1cc(C(C2C3C=CC2)Nc(cc2)c3cc2C(/C=C/c2ccco2)=O)ccc1)=O |
| InChI | InChI=1S/C25H20N2O4/c28-24(12-10-19-6-3-13-31-19)16-9-11-23-22(15-16)20-7-2-8-21(20)25(26-23)17-4-1-5-18(14-17)27(29)30/h1-7,9-15,20-21,25-26H,8H2 |
| InChIK | USEUHINEHWTAQH-UHFFFAOYSA-N |
| TotalMolweight | 412.444 |
| Molweight | 412.444 |
| MonoisotopicMass | 412.142308 |
| CLogP | 3.8263 |
| CLogS | -6.411 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.61 |
| Relative PSA | 0.22082 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -4.6388 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-1-[4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]prop-2-en-1-one | 2 - (E)-3-(furan-2-yl)-1-[4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]prop-2-en-1-one
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