2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate
Formula:C22H21N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate is a drug-like molecule.
| MolName | 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate |
| MolecularFormula | C22H21N2O3Cl |
| Smiles | O=C(c1c(-c2ccccc2)c2ccccc2c(Cl)n1)OCCN1CCOCC1 |
| InChI | InChI=1S/C22H21ClN2O3/c23-21-18-9-5-4-8-17(18)19(16-6-2-1-3-7-16)20(24-21)22(26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2 |
| InChIK | ROBIQSVEXQGJLP-UHFFFAOYSA-N |
| TotalMolweight | 396.873 |
| Molweight | 396.873 |
| MonoisotopicMass | 396.12407 |
| CLogP | 3.8515 |
| CLogS | -4.667 |
| H Acceptors | 5 |
| TotalSurfaceArea | 298.91 |
| Relative PSA | 0.15911 |
| PolarSurfaceArea | 51.66 |
| Druglikeness | 2.678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate | 2 - 2-morpholin-4-ylethyl 1-chloro-4-phenylisoquinoline-3-carboxylate
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