(3Z)-3-(quinolin-2-ylmethylidene)-1,4-dihydroquinoxalin-2-one
Formula:C18H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(quinolin-2-ylmethylidene)-1,4-dihydroquinoxalin-2-one is a drug-like molecule.
| MolName | (3Z)-3-(quinolin-2-ylmethylidene)-1,4-dihydroquinoxalin-2-one |
| MolecularFormula | C18H13N3O |
| Smiles | O=C1Nc(cccc2)c2N/C1=C\c1nc2ccccc2cc1 |
| InChI | InChI=1S/C18H13N3O/c22-18-17(20-15-7-3-4-8-16(15)21-18)11-13-10-9-12-5-1-2-6-14(12)19-13/h1-11,20H,(H,21,22) |
| InChIK | DFRXXDIGIYUHGV-UHFFFAOYSA-N |
| TotalMolweight | 287.321 |
| Molweight | 287.321 |
| MonoisotopicMass | 287.105862 |
| CLogP | 2.3256 |
| CLogS | -4.572 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 218.26 |
| Relative PSA | 0.21502 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | 2.3084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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