4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester - CAS 77156-78-6
Catalog: |
BB035822 |
Product Name: |
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
77156-78-6 |
Synonyms: |
ethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 6-methoxy-4-oxo-1H-quinoline-3-carboxylate |
Description: | 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester (CAS# 77156-78-6) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C13H13NO4 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)OC |
InChI: | InChI=1S/C13H13NO4/c1-3-18-13(16)10-7-14-11-5-4-8(17-2)6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15) |
InChI Key: | VNGGYIBIGOOVNP-UHFFFAOYSA-N |
Boiling Point: | 394.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.247 g/cm3 |
LogP: | 2.12570 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109651247-A | A kind of green high-efficient synthetic method of carbostyril compound | 20181220 |
WO-2019089626-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
EP-3704102-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
US-2021179630-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 20171030 |
WO-2018172925-A1 | Inhibitors of dna gyrase for treatment of bacterial infections | 20170323 |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Carbonyl Compounds
Quinoline/Isoquinoline
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