3-ethyl-2-oxo-1H-quinoline-4-carboxylic acid
Basic information
- CAS
64880-80-4- Standard SMILES
CCc1c(C(=O)O)c2ccccc2[nH]c1=O- InChIKey
RDABDYFOWPWVIC-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 3-ethyl-2-oxo-1H-quinoline-4-carboxylic acid
- IUPAC
- 3-ethyl-2-oxo-1H-quinoline-4-carboxylic acid
Names & synonyms
64880-80-43-ethyl-2-oxo-1H-quinoline-4-carboxylic acid3-ethyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid4-Quinolinecarboxylic acid, 3-ethyl-1,2-dihydro-2-oxo-ST072416TimTec1_006950Oprea1_0931823-Ethyl-2-oxo-1,2-dihydro-4-quinolinecarboxylic acidSCHEMBL7434293SCHEMBL28457049DTXSID20389703RDABDYFOWPWVIC-UHFFFAOYSA-N
Show more names
HMS1553L20HTS13245AKOS0007480793-ethyl-2-oxohydroquinoline-4-carboxylic acidSR-01000360949SR-01000360949-1
Database identifiers
- CAS
64880-80-4- PubChem CID
- 3137934
- DTXSID
DTXSID20389703
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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