[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate
Formula:C22H16N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate |
| MolecularFormula | C22H16N4O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(c1cc(-c2ccccc2)nc2ccccc12)=O |
| InChI | InChI=1S/C22H16N4O2/c23-21(16-9-6-12-24-14-16)26-28-22(27)18-13-20(15-7-2-1-3-8-15)25-19-11-5-4-10-17(18)19/h1-14H,(H2,23,26) |
| InChIK | IQUAJUZDTAYLIC-UHFFFAOYSA-N |
| TotalMolweight | 368.395 |
| Molweight | 368.395 |
| MonoisotopicMass | 368.127326 |
| CLogP | 4.1374 |
| CLogS | -5.225 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 284.14 |
| Relative PSA | 0.25255 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenylquinoline-4-carboxylate
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