(4R,7R)-2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Formula:C26H28N4O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(4R,7R)-2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a drug-like molecule.
| MolName | (4R,7R)-2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile |
| MolecularFormula | C26H28N4O |
| Smiles | CCc1ccc([C@@H](C(C(C2)=O)=C3C[C@H]2c2ccccc2)C(C#N)=C(N)N3N(C)C)cc1 |
| InChI | InChI=1S/C26H28N4O/c1-4-17-10-12-19(13-11-17)24-21(16-27)26(28)30(29(2)3)22-14-20(15-23(31)25(22)24)18-8-6-5-7-9-18/h5-13,20,24H,4,14-15,28H2,1-3H3/t20-,24-/m1/s1 |
| InChIK | LNKHWQCTVOQYMU-HYBUGGRVSA-N |
| TotalMolweight | 412.535 |
| Molweight | 412.535 |
| MonoisotopicMass | 412.226311 |
| CLogP | 3.5911 |
| CLogS | -5.766 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.5 |
| Relative PSA | 0.15138 |
| PolarSurfaceArea | 73.36 |
| Druglikeness | -1.2869 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,7R)-2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile | 2 - (4R,7R)-2-amino-1-(dimethylamino)-4-(4-ethylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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