Basic information
- CAS
79807-93-5- Standard SMILES
O=C(O)c1c[nH]c2cc(OCc3ccc4ccccc4c3)ccc2c1=O- InChIKey
QUXDLMJXPRKFCH-UHFFFAOYSA-N- Molecular formula
- C21H15NO4
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.10010796
Names & identifiers
- Preferred name
- 7-(naphthalen-2-ylmethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
- IUPAC
- 7-(naphthalen-2-ylmethoxy)-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
79807-93-5CHEMBL1604554-Hydroxy-7-(naphthalen-2-ylmethoxy)quinoline-3-carboxylic acid7-(naphthalen-2-ylmethoxy)-4-oxo-1H-quinoline-3-carboxylic acidNSC307160DTXSID803168183-Quinolinecarboxylicacid, 4-hydroxy-7-(2-naphthalenylmethoxy)-BDBM50404726NSC-307160DS-0144137-[(Naphthalen-2-yl)methoxy]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
79807-93-5- PubChem CID
- 328526
- DTXSID
DTXSID80316818- ChEMBL
CHEMBL160455
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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