7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester - CAS 733719-74-9
Catalog: |
BB034834 |
Product Name: |
7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester |
CAS: |
733719-74-9 |
Synonyms: |
ethyl 7-chloro-2-methylquinoline-3-carboxylate |
IUPAC Name: | ethyl 7-chloro-2-methylquinoline-3-carboxylate |
Description: | 7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester (CAS# 733719-74-9) is a useful research chemical. |
Molecular Weight: | 249.69 |
Molecular Formula: | C13H12ClNO2 |
Canonical SMILES: | CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C |
InChI: | InChI=1S/C13H12ClNO2/c1-3-17-13(16)11-6-9-4-5-10(14)7-12(9)15-8(11)2/h4-7H,3H2,1-2H3 |
InChI Key: | IQMPORCGKAHSDX-UHFFFAOYSA-N |
Boiling Point: | 340.4 °C at 760 mmHg |
Density: | 1.252 g/cm3 |
LogP: | 3.37330 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2024272-A2 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | 20060510 |
JP-2009536657-A | Amide derivatives as ion channel ligands and pharmaceutical compositions and methods using the same | 20060510 |
US-2012088746-A1 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | 20060510 |
WO-2007133637-A2 | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | 20060510 |
HU-212967-B | Process for producing 7-chloro-quinaldine | 19921228 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0556563 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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