6-methylquinoline-4-carboxylic acid - CAS 816448-94-9
Catalog: |
BB036685 |
Product Name: |
6-methylquinoline-4-carboxylic acid |
CAS: |
816448-94-9 |
Synonyms: |
6-methyl-4-quinolinecarboxylic acid; 6-methylquinoline-4-carboxylic acid |
IUPAC Name: | 6-methylquinoline-4-carboxylic acid |
Description: | 6-methylquinoline-4-carboxylic acid (CAS# 816448-94-9 ) is a useful research chemical. |
Molecular Weight: | 187.198 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | CC1=CC2=C(C=CN=C2C=C1)C(=O)O |
InChI: | InChI=1S/C11H9NO2/c1-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,(H,13,14) |
InChI Key: | URMBLJWNBITPCV-UHFFFAOYSA-N |
Boiling Point: | 361.8 °C at 760 mmHg |
Density: | 1.285 g/cm3 |
LogP: | 2.24140 |
Publication Number | Title | Priority Date |
AU-2018375308-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
WO-2019108565-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
CA-3083938-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
CN-111670034-A | Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases | 20171129 |
EP-3716972-A1 | Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases | 20171129 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.06332853 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Quinoline/Isoquinoline
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