8-Ethylquinoline-3-carboxylic acid - CAS 71082-56-9
Catalog: |
BB034306 |
Product Name: |
8-Ethylquinoline-3-carboxylic acid |
CAS: |
71082-56-9 |
Synonyms: |
8-ethylquinoline-3-carboxylic acid |
IUPAC Name: | 8-ethylquinoline-3-carboxylic acid |
Description: | 8-Ethylquinoline-3-carboxylic acid (CAS# 71082-56-9) is a useful research chemical. |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Canonical SMILES: | CCC1=CC=CC2=CC(=CN=C21)C(=O)O |
InChI: | InChI=1S/C12H11NO2/c1-2-8-4-3-5-9-6-10(12(14)15)7-13-11(8)9/h3-7H,2H2,1H3,(H,14,15) |
InChI Key: | RIMBRLWKVBSXGY-UHFFFAOYSA-N |
Boiling Point: | 369.5 °C at 760 mmHg |
Density: | 1.241 g/cm3 |
LogP: | 2.49540 |
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: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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