(4R,7S)-N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Formula:C30H27N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R,7S)-N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is not a drug-like molecule.
| MolName | (4R,7S)-N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide |
| MolecularFormula | C30H27N2O3F |
| Smiles | CC(NC(C[C@@H](C1)c2ccccc2)=C([C@H]2c3cc(OC)ccc3)C1=O)=C2C(Nc(cc1)ccc1F)=O |
| InChI | InChI=1S/C30H27FN2O3/c1-18-27(30(35)33-23-13-11-22(31)12-14-23)28(20-9-6-10-24(15-20)36-2)29-25(32-18)16-21(17-26(29)34)19-7-4-3-5-8-19/h3-15,21,28,32H,16-17H2,1-2H3,(H,33,35)/t21-,28-/m0/s1 |
| InChIK | JAXANOILHBUPHT-KMRXNPHXSA-N |
| TotalMolweight | 482.553 |
| Molweight | 482.553 |
| MonoisotopicMass | 482.200571 |
| CLogP | 6.0162 |
| CLogS | -6.383 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 363.43 |
| Relative PSA | 0.16234 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 2.5699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,7S)-N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide | 2 - (4R,7S)-N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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