2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol
PubChem CID: 10426085
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| Compound Synonyms | C17H21NO5, CHEMBL463650 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C17H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KEQCVKMHHPQLBP-LBPRGKRZSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -2.495 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.798 |
| Compound Name | 2-[(2S)-4,7,8-trimethoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 319.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 319.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.414952530434783 |
| Inchi | InChI=1S/C17H21NO5/c1-17(2,19)12-8-10-14(21-4)9-6-7-11(20-3)15(22-5)13(9)18-16(10)23-12/h6-7,12,19H,8H2,1-5H3/t12-/m0/s1 |
| Smiles | CC(C)([C@@H]1CC2=C(C3=C(C(=C(C=C3)OC)OC)N=C2O1)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melicope Semecarpifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all