5,8-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
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Basic information
- CAS
131251-73-5- Standard SMILES
COc1ccc(OC)c2nc3c(cc12)CCC3- InChIKey
YQASFYJBVKSAKX-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 5,8-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
- IUPAC
- 5,8-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
- English name
- 5,8-DIMETHOXY-2,3-DIHYDRO-1H-CYCLOPENTA[B]QUINOLINE
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.27
Names & synonyms
5,8-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline131251-73-55,8-dimethoxy-1H,2H,3H-cyclopenta[b]quinolineMFCD04124591MLS001195555CHEMBL1528427DTXSID901326032HMS2883B12AKOS015992134SMR000550316SR-0100030899012W-0817
Show more names
1H-Cyclopenta[b]quinoline, 2,3-dihydro-5,8-dimethoxy-
SR-01000308990-1
Database identifiers
- CAS
131251-73-5- PubChem CID
- 3707233
- DTXSID
DTXSID901326032- ChEMBL
CHEMBL1528427- Nikkaji
- J2.476.378A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Solubility29 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 98 · 98-100 °C
- Boiling point
- 398.2 · 398.2±37.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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