(4R,7S)-2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Formula:C24H24N4O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(4R,7S)-2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a drug-like molecule.
| MolName | (4R,7S)-2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile |
| MolecularFormula | C24H24N4O |
| Smiles | CN(C)N(C(C[C@@H](C1)c2ccccc2)=C([C@@H]2c3ccccc3)C1=O)C(N)=C2C#N |
| InChI | InChI=1S/C24H24N4O/c1-27(2)28-20-13-18(16-9-5-3-6-10-16)14-21(29)23(20)22(19(15-25)24(28)26)17-11-7-4-8-12-17/h3-12,18,22H,13-14,26H2,1-2H3/t18-,22+/m0/s1 |
| InChIK | NSDNWJXIHBOPHZ-PGRDOPGGSA-N |
| TotalMolweight | 384.482 |
| Molweight | 384.482 |
| MonoisotopicMass | 384.195011 |
| CLogP | 2.8316 |
| CLogS | -5.263 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.48 |
| Relative PSA | 0.16462 |
| PolarSurfaceArea | 73.36 |
| Druglikeness | -1.091 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4R,7S)-2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile | 2 - (4R,7S)-2-amino-1-(dimethylamino)-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
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