2-(10H-indolo[3,2-b]quinolin-11-ylmethylamino)-2-methylpropane-1,3-diol
PubChem CID: 10759238
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| Compound Synonyms | CHEMBL522284 |
|---|---|
| Topological Polar Surface Area | 81.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(10H-indolo[3,2-b]quinolin-11-ylmethylamino)-2-methylpropane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C20H21N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YABVPAWASKYHCA-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.485 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.494 |
| Compound Name | 2-(10H-indolo[3,2-b]quinolin-11-ylmethylamino)-2-methylpropane-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 335.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 335.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3464234000000004 |
| Inchi | InChI=1S/C20H21N3O2/c1-20(11-24,12-25)21-10-15-13-6-2-4-8-16(13)22-18-14-7-3-5-9-17(14)23-19(15)18/h2-9,21,23-25H,10-12H2,1H3 |
| Smiles | CC(CO)(CO)NCC1=C2C(=NC3=CC=CC=C31)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