N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
Formula:C19H24N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide is a drug-like molecule.
| MolName | N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide |
| MolecularFormula | C19H24N4O |
| Smiles | CCCCn(c1nc2cc(C)ccc2cc11)nc1NC(C(C)C)=O |
| InChI | InChI=1S/C19H24N4O/c1-5-6-9-23-18-15(17(22-23)21-19(24)12(2)3)11-14-8-7-13(4)10-16(14)20-18/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,22,24) |
| InChIK | UAOFJZCFSSCPQQ-UHFFFAOYSA-N |
| TotalMolweight | 324.427 |
| Molweight | 324.427 |
| MonoisotopicMass | 324.195011 |
| CLogP | 3.8742 |
| CLogS | -5.621 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.21 |
| Relative PSA | 0.20409 |
| PolarSurfaceArea | 59.81 |
| Druglikeness | 2.5099 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide | 2 - N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off