2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate
PubChem CID: 10506859
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| Compound Synonyms | CHEMBL450993 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 932.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C34H22N4O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QARSKUJTUHGKBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -7.747 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.485 |
| Compound Name | 2-(10H-indolo[3,2-b]quinoline-11-carbonyloxy)ethyl 10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 550.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 550.164 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 550.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.775406419047622 |
| Inchi | InChI=1S/C34H22N4O4/c39-33(27-19-9-1-5-13-23(19)35-29-21-11-3-7-15-25(21)37-31(27)29)41-17-18-42-34(40)28-20-10-2-6-14-24(20)36-30-22-12-4-8-16-26(22)38-32(28)30/h1-16,37-38H,17-18H2 |
| Smiles | C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)C(=O)OCCOC(=O)C5=C6C(=NC7=CC=CC=C75)C8=CC=CC=C8N6 |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients