4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester - CAS 27568-04-3
Catalog: |
BB019612 |
Product Name: |
4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester |
CAS: |
27568-04-3 |
Synonyms: |
ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate |
IUPAC Name: | ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate |
Description: | 4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl ester (CAS# 27568-04-3) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C13H13NO4 |
Canonical SMILES: | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2OC |
InChI: | InChI=1S/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15) |
InChI Key: | HCYNWEIHLHVPEW-UHFFFAOYSA-N |
Boiling Point: | 391.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.247 g/cm3 |
MDL: | MFCD00173382 |
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 |
AU-2016370779-A1 | Quinoline-3-carboxamides as H-PGDS inhibitors | 20151217 |
AU-2016370779-B2 | Quinoline-3-carboxamides as H-PGDS inhibitors | 20151217 |
CA-3008358-A1 | Quinoline-3-carboxamides as h-pgds inhibitors | 20151217 |
EP-3390384-A1 | Quinoline-3-carboxamides as h-pgds inhibitors | 20151217 |
JP-2019502691-A | Quinoline-3-carboxamide as H-PGDS inhibitor | 20151217 |
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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Quinoline/Isoquinoline
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