(4R,7R)-2-amino-1-(5-bromopyridin-2-yl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Formula:C27H20N4OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R,7R)-2-amino-1-(5-bromopyridin-2-yl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is not a drug-like molecule.
| MolName | (4R,7R)-2-amino-1-(5-bromopyridin-2-yl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile |
| MolecularFormula | C27H20N4OBrF |
| Smiles | NC(N(C(C[C@H](C1)c2ccccc2)=C([C@@H]2c(cc3)ccc3F)C1=O)c(cc1)ncc1Br)=C2C#N |
| InChI | InChI=1S/C27H20BrFN4O/c28-19-8-11-24(32-15-19)33-22-12-18(16-4-2-1-3-5-16)13-23(34)26(22)25(21(14-30)27(33)31)17-6-9-20(29)10-7-17/h1-11,15,18,25H,12-13,31H2/t18-,25-/m0/s1 |
| InChIK | QTMJIXXEAHGFOY-BVZFJXPGSA-N |
| TotalMolweight | 515.385 |
| Molweight | 515.385 |
| MonoisotopicMass | 514.08045 |
| CLogP | 5.8927 |
| CLogS | -8.397 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.16 |
| Relative PSA | 0.1629 |
| PolarSurfaceArea | 83.01 |
| Druglikeness | -5.0201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,7R)-2-amino-1-(5-bromopyridin-2-yl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile | 2 - (4R,7R)-2-amino-1-(5-bromopyridin-2-yl)-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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