2-[2-hydroxyethyl-[2-[(E)-2-quinolin-4-ylethenyl]quinolin-4-yl]amino]ethanol
Formula:C24H23N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-hydroxyethyl-[2-[(E)-2-quinolin-4-ylethenyl]quinolin-4-yl]amino]ethanol is a drug-like molecule.
| MolName | 2-[2-hydroxyethyl-[2-[(E)-2-quinolin-4-ylethenyl]quinolin-4-yl]amino]ethanol |
| MolecularFormula | C24H23N3O2 |
| Smiles | OCCN(CCO)c1cc(/C=C/c2ccnc3ccccc23)nc2ccccc12 |
| InChI | InChI=1S/C24H23N3O2/c28-15-13-27(14-16-29)24-17-19(26-23-8-4-2-6-21(23)24)10-9-18-11-12-25-22-7-3-1-5-20(18)22/h1-12,17,28-29H,13-16H2 |
| InChIK | PBITVDKBJBITDD-UHFFFAOYSA-N |
| TotalMolweight | 385.466 |
| Molweight | 385.466 |
| MonoisotopicMass | 385.179027 |
| CLogP | 3.4082 |
| CLogS | -4.81 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 304.28 |
| Relative PSA | 0.16988 |
| PolarSurfaceArea | 69.48 |
| Druglikeness | 1.9408 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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