4-oxo-7-phenethyloxy-1H-quinoline-3-carboxylic acid
Basic information
- CAS
78105-11-0- Standard SMILES
O=C(O)c1c[nH]c2cc(OCCc3ccccc3)ccc2c1=O- InChIKey
IEWNHJMPTUOWNH-UHFFFAOYSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- 4-oxo-7-phenethyloxy-1H-quinoline-3-carboxylic acid
- IUPAC
- 4-oxo-7-(2-phenylethoxy)-1H-quinoline-3-carboxylic acid
Names & synonyms
CHEMBL35154078105-11-0NSC3071684-oxo-7-(2-phenylethoxy)-1H-quinoline-3-carboxylic acid4-oxo-7-phenethyloxy-1H-quinoline-3-carboxylic acidSCHEMBL17338576DTXSID50316825BDBM50404729NSC-307168DS-0153624-Oxo-7-(2-phenylethoxy)-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
78105-11-0- PubChem CID
- 328534
- DTXSID
DTXSID50316825- ChEMBL
CHEMBL351540
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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