7-(2-naphthalen-2-yloxyethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
Basic information
- CAS
79807-95-7- Standard SMILES
O=C(O)c1c[nH]c2cc(OCCOc3ccc4ccccc4c3)ccc2c1=O- InChIKey
ASCGFMFCUMXIEK-UHFFFAOYSA-N- Molecular formula
- C22H17NO5
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11067264
Names & identifiers
- Preferred name
- 7-(2-naphthalen-2-yloxyethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
- IUPAC
- 7-(2-naphthalen-2-yloxyethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
79807-95-7CHEMBL1567074-Hydroxy-7-(2-(naphthalen-2-yloxy)ethoxy)quinoline-3-carboxylic acid7-(2-naphthalen-2-yloxyethoxy)-4-oxo-1H-quinoline-3-carboxylic acidNSC307170DTXSID703168273-Quinolinecarboxylicacid, 4-hydroxy-7-[2-(2-naphthalenyloxy)ethoxy]-BDBM50404709NSC-307170DS-0049877-{2-[(Naphthalen-2-yl)oxy]ethoxy}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
79807-95-7- PubChem CID
- 328536
- DTXSID
DTXSID70316827- ChEMBL
CHEMBL156707
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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