Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Basic information
- CAS
5327-43-5- Standard SMILES
CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cc(OC)cc2c1=O- InChIKey
LBBDRKQWRYCIMB-UHFFFAOYSA-N- Molecular formula
- C13H12N2O6
- Average molar mass
- 292.24 g/mol
- Monoisotopic mass
- 292.06953611
Names & identifiers
- Preferred name
- Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylate
Names & synonyms
ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate5327-43-5MLS0026376073-Quinolinecarboxylic acid, 4-hydroxy-6-methoxy-8-nitro-, ethyl ester4-HYDROXY-6-METHOXY-8-NITRO-3-QUINOLINECARBOXYLIC ACID, ETHYL ESTERNSC2036CHEMBL2141005NIOSH/VB2110000DTXSID20277378NSC3330LBBDRKQWRYCIMB-UHFFFAOYSA-NHMS3091N11
Show more names
HCA72860NSC-2036NSC-3330AKOS024361657SMR001547134ST50992195VB211000003-Carbethoxy-6-methoxy-8-nitro-4-quinolinol
Database identifiers
- CAS
5327-43-5- PubChem CID
- 219997
- DTXSID
DTXSID20277378- ChEMBL
CHEMBL2141005
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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