5,9-Dimethoxy-2,2-dimethylpyrano[2,3-b]quinoline
PubChem CID: 44138438
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dimethoxy-2,2-dimethylpyrano[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PFLIOQRNYDFNHJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -5.076 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.089 |
| Compound Name | 5,9-Dimethoxy-2,2-dimethylpyrano[2,3-b]quinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 271.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8958592 |
| Inchi | InChI=1S/C16H17NO3/c1-16(2)9-8-11-14(19-4)10-6-5-7-12(18-3)13(10)17-15(11)20-16/h5-9H,1-4H3 |
| Smiles | CC1(C=CC2=C(C3=C(C(=CC=C3)OC)N=C2O1)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratina Saltillensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Dasycarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Esenbeckia Hartmanii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Grewia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salvia Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Trifolium Montanum (Plant) Rel Props:Source_db:cmaup_ingredients