methyl 2-bromo-10H-indolo[3,2-b]quinoline-11-carboxylate
PubChem CID: 10784366
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| Compound Synonyms | CHEMBL490141 |
|---|---|
| Topological Polar Surface Area | 55.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-bromo-10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H11BrN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YSTYJKOSTMMHRY-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -6.526 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.752 |
| Compound Name | methyl 2-bromo-10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.0 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 355.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.184702381818182 |
| Inchi | InChI=1S/C17H11BrN2O2/c1-22-17(21)14-11-8-9(18)6-7-13(11)19-15-10-4-2-3-5-12(10)20-16(14)15/h2-8,20H,1H3 |
| Smiles | COC(=O)C1=C2C(=NC3=C1C=C(C=C3)Br)C4=CC=CC=C4N2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients