(4R)-N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Formula:C26H27N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is a drug-like molecule.
| MolName | (4R)-N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide |
| MolecularFormula | C26H27N2O4F |
| Smiles | CC(C)(C1)CC(NC(C)=C([C@@H]2c(cc3)cc(OC)c3O)C(Nc3cccc(F)c3)=O)=C2C1=O |
| InChI | InChI=1S/C26H27FN2O4/c1-14-22(25(32)29-17-7-5-6-16(27)11-17)23(15-8-9-19(30)21(10-15)33-4)24-18(28-14)12-26(2,3)13-20(24)31/h5-11,23,28,30H,12-13H2,1-4H3,(H,29,32)/t23-/m0/s1 |
| InChIK | XPXKSNHOCDXLMT-QHCPKHFHSA-N |
| TotalMolweight | 450.508 |
| Molweight | 450.508 |
| MonoisotopicMass | 450.195486 |
| CLogP | 4.5269 |
| CLogS | -5.191 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 332.45 |
| Relative PSA | 0.21687 |
| PolarSurfaceArea | 87.66 |
| Druglikeness | 1.0694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R)-N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide | 2 - (4R)-N-(3-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
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