Basic information
- CAS
112858-85-2- Standard SMILES
O=C(O)COc1ccc2nc3[nH]c(=O)[nH]c3cc2c1- InChIKey
ANBLGOPBKUCVNY-UHFFFAOYSA-N- Molecular formula
- C12H9N3O4
- Average molar mass
- 259.22 g/mol
- Monoisotopic mass
- 259.05930578
Names & identifiers
- Preferred name
- [(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)oxy]acetic acid
- IUPAC
- 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetic acid
Names & synonyms
112858-85-22-((2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)oxy)acetic acidCHEMBL88525SCHEMBL10658552DTXSID40558419[(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)oxy]acetic acidBDBM50000937(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-acetic acid
Database identifiers
- CAS
112858-85-2- PubChem CID
- 14280992
- DTXSID
DTXSID40558419- ChEMBL
CHEMBL88525- Nikkaji
- J499.271G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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