4-Hydroxy-8-methoxyquinoline-3-carboxylic acid - CAS 280027-18-1
Catalog: |
BB019732 |
Product Name: |
4-Hydroxy-8-methoxyquinoline-3-carboxylic acid |
CAS: |
280027-18-1 |
Synonyms: |
8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid |
Description: | 4-Hydroxy-8-methoxyquinoline-3-carboxylic acid (CAS# 280027-18-1) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | COC1=CC=CC2=C1NC=C(C2=O)C(=O)O |
InChI: | InChI=1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)12-5-7(10(6)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15) |
InChI Key: | CDGYPATWKVOBIY-UHFFFAOYSA-N |
Boiling Point: | 407.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.402 g/cm3 |
LogP: | 1.64720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2010056633-A2 | 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones | 20081111 |
EP-1999106-A1 | A hydride reduction process for preparing quinolone intermediates | 20060328 |
EP-2001862-A2 | Malate salts, and polymorphs of (3s,5s)-7-ý3-amino-5-methyl-piperidinyl¨-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid | 20060328 |
WO-2007110834-A2 | Malate salts, and polymorphs of (3s,5s)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid | 20060328 |
WO-2007110836-A1 | A hydride reduction process for preparing quinolone intermediates | 20060328 |
PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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