quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
Basic information
- CAS
334501-57-4- Standard SMILES
O=C(/C=C/c1ccco1)Oc1cccc2cccnc12- InChIKey
DTRRCZYJQSFXOH-CMDGGOBGSA-N- Molecular formula
- C16H11NO3
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.07389321
Names & identifiers
- Preferred name
- quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
- IUPAC
- quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
Names & synonyms
quinolin-8-yl (2E)-3-(furan-2-yl)prop-2-enoatequinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate334501-57-4MLS000768417CHEMBL1577385DTXSID401331440HMS2797L08STK913845AKOS003648252SMR000431810(E)-quinolin-8-yl 3-(furan-2-yl)acrylate(E)-3-Furan-2-yl-acrylic acid quinolin-8-yl ester
Database identifiers
- CAS
334501-57-4- PubChem CID
- 778948
- DTXSID
DTXSID401331440- ChEMBL
CHEMBL1577385
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility27.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…