Ethyl 3-Oxo-3-(6-quinolyl)propanoate - CAS 858646-09-0
Catalog: |
BB037751 |
Product Name: |
Ethyl 3-Oxo-3-(6-quinolyl)propanoate |
CAS: |
858646-09-0 |
Synonyms: |
3-oxo-3-(6-quinolinyl)propanoic acid ethyl ester; ethyl 3-oxo-3-quinolin-6-ylpropanoate |
IUPAC Name: | ethyl 3-oxo-3-quinolin-6-ylpropanoate |
Description: | Ethyl 3-Oxo-3-(6-quinolyl)propanoate (CAS# 858646-09-0 ) is a useful research chemical. |
Molecular Weight: | 243.26 |
Molecular Formula: | C14H13NO3 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=CC2=C(C=C1)N=CC=C2 |
InChI: | InChI=1S/C14H13NO3/c1-2-18-14(17)9-13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-8H,2,9H2,1H3 |
InChI Key: | YSGRFRZNMXBSBW-UHFFFAOYSA-N |
LogP: | 2.37070 |
Publication Number | Title | Priority Date |
US-2012277224-A1 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2012149157-A2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-10953012-B2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-2006148043-A1 | Novel optically active, heteroaromatic beta-hydroxy esters and processes for their preparation from beta-keto esters and processes for the preparation of these beta-keto esters | 20050103 |
US-7626035-B2 | Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters | 20050103 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.08954328 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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