Basic information
- CAS
298187-85-6- Standard SMILES
CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1- InChIKey
ZCKWIRNYRQKPNV-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 2-[4-(Acetylamino)phenyl]quinoline-4-carboxylic acid
- IUPAC
- 2-(4-acetamidophenyl)quinoline-4-carboxylic acid
- English name
- 2-[4-(Acetylamino)phenyl]quinoline-4-carboxylic acid
- Molecular formula
- C18H14N2O3
- Molecular weight
- 306.32
Names & synonyms
298187-85-62-[4-(acetylamino)phenyl]quinoline-4-carboxylic acid2-(4-acetamidophenyl)quinoline-4-carboxylic acid4-Quinolinecarboxylicacid, 2-[4-(acetylamino)phenyl]-CHEMBL1403108Maybridge1_006239Oprea1_288838MLS000778038SCHEMBL5154506HMS559D13DTXSID20351460HMS2749A06
Show more names
4-Quinolinecarboxylic acid, 2-[4-(acetylamino)phenyl]-
BDBM50430813STK057713AKOS001671262SMR000414432DB-068165EU-0080447SR-01000505511SR-01000505511-1
Database identifiers
- CAS
298187-85-6- PubChem CID
- 700796
- DTXSID
DTXSID20351460- ChEMBL
CHEMBL1403108
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Solubility42.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 274.5 °C · 274.5 °C
- Boiling point
- 595.2 · 595.2±50.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 0.96 · 0.96±0.10(Predicted)
Chemistry & industry
Suppliers4 total
重庆科脉材料科技有限公司13370757113 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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