Methyl 5-methylindolo[3,2-b]quinoline-11-carboxylate
PubChem CID: 9971458
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL8479763 |
|---|---|
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 5-methylindolo[3,2-b]quinoline-11-carboxylate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C18H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GFMDRMJHODBOSU-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Methyl 5-methylindolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.106 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 290.106 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 290.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.316314581818181 |
| Inchi | InChI=1S/C18H14N2O2/c1-20-14-10-6-4-8-12(14)15(18(21)22-2)16-17(20)11-7-3-5-9-13(11)19-16/h3-10H,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=C3C1=C4C=CC=CC4=N3)C(=O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients