(4R)-2-amino-4-(2,5-dimethoxyphenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Formula:C22H28N4O3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile is a drug-like molecule.
| MolName | (4R)-2-amino-4-(2,5-dimethoxyphenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile |
| MolecularFormula | C22H28N4O3 |
| Smiles | CC(C)(C1)CC(N(C(N)=C([C@@H]2c(cc(cc3)OC)c3OC)C#N)N(C)C)=C2C1=O |
| InChI | InChI=1S/C22H28N4O3/c1-22(2)10-16-20(17(27)11-22)19(15(12-23)21(24)26(16)25(3)4)14-9-13(28-5)7-8-18(14)29-6/h7-9,19H,10-11,24H2,1-6H3/t19-/m0/s1 |
| InChIK | AYIJCVVBGHPNMN-IBGZPJMESA-N |
| TotalMolweight | 396.489 |
| Molweight | 396.489 |
| MonoisotopicMass | 396.216141 |
| CLogP | 1.548 |
| CLogS | -4.403 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 304.67 |
| Relative PSA | 0.22638 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | -2.5606 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.37931 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R)-2-amino-4-(2,5-dimethoxyphenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile | 2 - (4R)-2-amino-4-(2,5-dimethoxyphenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
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