4-Hydroxy-2-methylquinoline-6-carboxylic acid ethyl ester - CAS 300590-94-7
Catalog: |
BB020428 |
Product Name: |
4-Hydroxy-2-methylquinoline-6-carboxylic acid ethyl ester |
CAS: |
300590-94-7 |
Synonyms: |
ethyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate |
IUPAC Name: | ethyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate |
Description: | 4-Hydroxy-2-methylquinoline-6-carboxylic acid ethyl ester (CAS# 300590-94-7) is a useful research chemical. |
Molecular Weight: | 231.25 |
Molecular Formula: | C13H13NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C |
InChI: | InChI=1S/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)12(15)6-8(2)14-11/h4-7H,3H2,1-2H3,(H,14,15) |
InChI Key: | ZBJWZYUUWDUKMK-UHFFFAOYSA-N |
Boiling Point: | 383.7 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.189 g/cm3 |
LogP: | 2.42550 |
Publication Number | Title | Priority Date |
EP-2166852-A1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
EP-2166852-B1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
US-2008306049-A1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
US-2011065693-A1 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
US-7872002-B2 | Therapeutic pyrazoloquinoline derivatives | 20070608 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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