4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-butyric acid
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Basic information
- Standard SMILES
O=C(O)CCCOc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3- InChIKey
NTFGUMGSLPDPCZ-UHFFFAOYSA-N- Molecular formula
- C20H16FNO5
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 369.10125077
Names & identifiers
- Preferred name
- 4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-butyric acid
- IUPAC
- 4-[[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy]butanoic acid
Names & synonyms
CHEMBL129585NSC683478BDBM50106308NSC-683478NCI60_0299194-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-butyric acid
Database identifiers
- PubChem CID
- 388495
- ChEMBL
CHEMBL129585- Nikkaji
- J1.678.124J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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