6-Bromo-2-{5-[4-(butan-2-yl)phenyl]furan-2-yl}quinoline-4-carboxylate
Basic information
- CAS
6851-48-5- Standard SMILES
CCC(C)c1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(Br)ccc4n3)o2)cc1- InChIKey
PDQQOZRSQGPCBV-UHFFFAOYSA-M- Molecular formula
- C24H19BrNO3-
- Average molar mass
- 449.3 g/mol
- Monoisotopic mass
- 448.05483
Names & identifiers
- Preferred name
- 6-Bromo-2-{5-[4-(butan-2-yl)phenyl]furan-2-yl}quinoline-4-carboxylate
- IUPAC
- 6-bromo-2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate
Names & synonyms
6851-48-5DTXSID704115036-Bromo-2-{5-[4-(butan-2-yl)phenyl]furan-2-yl}quinoline-4-carboxylate
Database identifiers
- CAS
6851-48-5- PubChem CID
- 5226949
- DTXSID
DTXSID70411503
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- -1
- Complexity
- 559
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Compound notes
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