2-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
Formula:C20H17N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide is a drug-like molecule.
| MolName | 2-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide |
| MolecularFormula | C20H17N4OCl |
| Smiles | CCn(c1nc2c(C)cccc2cc11)nc1NC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C20H17ClN4O/c1-3-25-19-15(11-13-8-6-7-12(2)17(13)22-19)18(24-25)23-20(26)14-9-4-5-10-16(14)21/h4-11H,3H2,1-2H3,(H,23,24,26) |
| InChIK | ACSASESGMRNGEP-UHFFFAOYSA-N |
| TotalMolweight | 364.835 |
| Molweight | 364.835 |
| MonoisotopicMass | 364.109088 |
| CLogP | 4.3425 |
| CLogS | -6.557 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.85 |
| Relative PSA | 0.1961 |
| PolarSurfaceArea | 59.81 |
| Druglikeness | 4.1354 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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