(+)-4,7-Dimethoxy-7-(3-methyl-2-butenyl)furo[2,3-b]quinolin-8(7h)-one
PubChem CID: 90473784
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| Compound Synonyms | DB-289594, (+)-4,7-Dimethoxy-7-(3-methyl-2-butenyl)furo[2,3-b]quinolin-8(7h)-one |
|---|---|
| Topological Polar Surface Area | 61.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 525.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethoxy-7-(3-methylbut-2-enyl)furo[2,3-b]quinolin-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VQMVMAFZWJQFOM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.625 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.46 |
| Compound Name | (+)-4,7-Dimethoxy-7-(3-methyl-2-butenyl)furo[2,3-b]quinolin-8(7h)-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.265353817391304 |
| Inchi | InChI=1S/C18H19NO4/c1-11(2)5-8-18(22-4)9-6-12-14(16(18)20)19-17-13(7-10-23-17)15(12)21-3/h5-7,9-10H,8H2,1-4H3 |
| Smiles | CC(=CCC1(C=CC2=C(C1=O)N=C3C(=C2OC)C=CO3)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Haplophyllum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients