2-hydroxyethyl 10H-indolo[3,2-b]quinoline-11-carboxylate
PubChem CID: 10852167
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| Compound Synonyms | CHEMBL490530 |
|---|---|
| Topological Polar Surface Area | 75.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyethyl 10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C18H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWXUCPFWAZSYDG-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.704 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.741 |
| Compound Name | 2-hydroxyethyl 10H-indolo[3,2-b]quinoline-11-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.855446721739131 |
| Inchi | InChI=1S/C18H14N2O3/c21-9-10-23-18(22)15-11-5-1-3-7-13(11)19-16-12-6-2-4-8-14(12)20-17(15)16/h1-8,20-21H,9-10H2 |
| Smiles | C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)C(=O)OCCO |
| 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