Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate - CAS 1628319-78-7
Catalog: |
BB011912 |
Product Name: |
Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate |
CAS: |
1628319-78-7 |
Synonyms: |
3-oxo-2H-isoquinoline-4-carboxylic acid ethyl ester; ethyl 3-oxo-2H-isoquinoline-4-carboxylate |
IUPAC Name: | ethyl 3-oxo-2H-isoquinoline-4-carboxylate |
Description: | Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate (CAS# 1628319-78-7 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | CCOC(=O)C1=C2C=CC=CC2=CNC1=O |
InChI: | InChI=1S/C12H11NO3/c1-2-16-12(15)10-9-6-4-3-5-8(9)7-13-11(10)14/h3-7H,2H2,1H3,(H,13,14) |
InChI Key: | JUEHCZZDTZEXGD-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2014240388-A1 | Substituted 7-azabicycles and their use as orexin receptor modulators | 20130313 |
AU-2014248680-A1 | Substituted 2-azabicycles and their use as orexin receptor modulators | 20130313 |
AU-2014248680-B2 | Substituted 2-azabicycles and their use as orexin receptor modulators | 20130313 |
AU-2018204835-A1 | Substituted 2-azabicycles and their use as orexin receptor modulators | 20130313 |
AU-2018204835-B2 | Substituted 2-azabicycles and their use as orexin receptor modulators | 20130313 |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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