Ethyl 2-Chloroquinoline-3-carboxylate - CAS 16498-86-5
Catalog: |
BB012153 |
Product Name: |
Ethyl 2-Chloroquinoline-3-carboxylate |
CAS: |
16498-86-5 |
Synonyms: |
2-chloro-3-quinolinecarboxylic acid ethyl ester; ethyl 2-chloroquinoline-3-carboxylate |
IUPAC Name: | ethyl 2-chloroquinoline-3-carboxylate |
Description: | Ethyl 2-Chloroquinoline-3-carboxylate (CAS# 16498-86-5) is a useful research chemical. |
Molecular Weight: | 235.67 |
Molecular Formula: | C12H10ClNO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=CC=CC=C2N=C1Cl |
InChI: | InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h3-7H,2H2,1H3 |
InChI Key: | RDZRGYUIVNLMIC-UHFFFAOYSA-N |
Boiling Point: | 337.5 °C at 760 mmHg |
Density: | 1.286 g/cm3 |
LogP: | 3.06490 |
Publication Number | Title | Priority Date |
US-2014228371-A1 | Quinoline and quinazoline amides as modulators of sodium channels | 20130131 |
US-2015336945-A1 | Quinoline and quinazoline amides as modulators of sodium channels | 20130131 |
US-9139529-B2 | Substituted quinoxalines as sodium channel modulators | 20130131 |
US-9783501-B2 | Substituted quinolines as modulators of sodium channels | 20130131 |
WO-2014113485-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0400063 |
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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