Basic information
- CAS
3253-51-8- Standard SMILES
C(=C\c1ccnc2ccccc12)/c1ccc2c(c1)OCO2- InChIKey
FHSFBUIJHLVPRQ-FNORWQNLSA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Names & identifiers
- Preferred name
- 4-(2-(1,3-Benzodioxol-5-yl)vinyl)quinoline
- IUPAC
- 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
Names & synonyms
3253-51-84-(2-(1,3-Benzodioxol-5-yl)vinyl)quinoline4-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)quinolineNSC649444-(2-benzo[1,3]dioxol-5-ylethenyl)quinoline4-[2-(1,3-benzodioxol-5-yl)vinyl]quinoline4-[2-(1,3-benzodioxol-5-yl)ethenyl]quinoline4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinolineNSC 64944CHEMBL2359507SCHEMBL15347532NSC-64944
Show more names
NCGC00184052-01NCGC00184052-02NCGC00184052-03NCGC00184052-04NCGC00184052-05NCGC00184052-06AB00077697-01AK-968/10814063
Database identifiers
- CAS
3253-51-8- PubChem CID
- 763584
- ChEMBL
CHEMBL2359507- Nikkaji
- J1.502.743F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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