8-Chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid
Basic information
- CAS
862782-47-6- Standard SMILES
COc1ccc(OC)c(-c2cc(C(=O)O)c3cccc(Cl)c3n2)c1- InChIKey
MLGPTQXMWWXLTH-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0611356
Names & identifiers
- Preferred name
- 8-Chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid
- IUPAC
- 8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid
- English name
- 8-CHLORO-2-(2,5-DIMETHOXYPHENYL)QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C18H14ClNO4
- Molecular weight
- 343.76
Names & synonyms
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid862782-47-6MFCD03422155DTXSID801189774ALBB-000715BBL017929STK502347AKOS005170906SB72360VS-06601H210798-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylicacid
Show more names
4-Quinolinecarboxylic acid, 8-chloro-2-(2,5-dimethoxyphenyl)-
8-Chloro-2-(2,5-dimethoxyphenyl)-4-quinolinecarboxylic acid
Database identifiers
- CAS
862782-47-6- PubChem CID
- 3915436
- DTXSID
DTXSID801189774
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 507.6 · 507.6±50.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(Predicted)
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Related reactions
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Compound notes
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