4-Methoxy-2-quinolinecarboxylic acid - CAS 15733-83-2
Catalog: |
BB011313 |
Product Name: |
4-Methoxy-2-quinolinecarboxylic acid |
CAS: |
15733-83-2 |
Synonyms: |
4-methoxyquinoline-2-carboxylic acid |
IUPAC Name: | 4-methoxyquinoline-2-carboxylic acid |
Description: | 4-Methoxy-2-quinolinecarboxylic acid (CAS# 15733-83-2) is used in preparation of triazolopyrimidine derivatives as PDE2 inhibitors. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC1=CC(=NC2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C11H9NO3/c1-15-10-6-9(11(13)14)12-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,13,14) |
InChI Key: | AVBKMSSLAIKOGM-UHFFFAOYSA-N |
Boiling Point: | 349.5 °C at 760 mmHg |
Density: | 1.325 g/cm3 |
MDL: | MFCD00012336 |
LogP: | 1.94160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021080508-A1 | Method and system for synthesising compounds | 20191023 |
AU-2018357878-A1 | Spirocyclic compounds as farnesoid X receptor modulators | 20171101 |
WO-2019089672-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
EP-3704114-A1 | Spirocyclic compounds as farnesoid x receptor modulators | 20171101 |
US-2019202853-A1 | Dna polymerase beta inhibitors | 20160819 |
PMID | Publication Date | Title | Journal |
21939269 | 20111019 | Polycondensation of butenediol: synthesis of telechelic 2-butene-1,4-diol oligomers | Journal of the American Chemical Society |
21523101 | 20110122 | 4-Meth-oxy-quinolinium-2-carboxyl-ate dihydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Quinoline/Isoquinoline
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