Basic information
- CAS
1698-95-9- Standard SMILES
COC(=O)c1c[nH]c2cc(OC(C)C)c(OC(C)C)cc2c1=O- InChIKey
VSIUFPQOEIKNCY-UHFFFAOYSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14197277
Overview
Proquinolate is a small molecule drug. Proquinolate has a monoisotopic molecular weight of 319.14 Da.
Names & identifiers
- Preferred name
- Proquinolate
- IUPAC
- methyl 4-oxo-6,7-di(propan-2-yloxy)-1H-quinoline-3-carboxylate
- English name
- Proquinolate
- Molecular formula
- C17H21NO5
- Molecular weight
- 319.35
Names & synonyms
PROQUINOLATE1698-95-9Mequinolatemethyl 4-oxo-6,7-di(propan-2-yloxy)-1H-quinoline-3-carboxylateEU-1063Methyl 4-hydroxy-6,7-diisopropoxyquinoline-3-carboxylateNSC-201112Methyl 4-hydroxy-6,7-diisopropoxy-3-quinolinecarboxylateU-10635M91328O793-Quinolinecarboxylic acid, 4-hydroxy-6,7-bis(1-methylethoxy)-, methyl esterProquinolate [USAN:INN]
Show more names
4-Hydroxy-6,7-diisopropoxy-3-quinolinecarboxylic acid methyl ester6,7-diisopropoxy-4-keto-1H-quinoline-3-carboxylic acid methyl ester
ProquinolatProquinolatoUNII-5M91328O79NSC 201112Proquinolate (USAN/INN)PROQUINOLATE [INN]PROQUINOLATE [USAN]SCHEMBL1813584
Database identifiers
- CAS
1698-95-9- PubChem CID
- 15547
- DTXSID
DTXSID80168758- ChEMBL
CHEMBL2105380
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Melting point
- 253 · 253-256 °C
- Boiling point
- 422.6 · 422.6±40.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.50(Predicted)
- FDA UNII
- 5 M91328O79 · 5M91328O79
Chemistry & industry
Applications
UsesCoccidiostat (for poultry).
Suppliers2 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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