1-(6-Methoxyquinolin-4-yl)-3-(3-vinylpiperidin-4-yl)propan-1-one - CAS 50879-75-9
Catalog: |
BB060050 |
Product Name: |
1-(6-Methoxyquinolin-4-yl)-3-(3-vinylpiperidin-4-yl)propan-1-one |
CAS: |
50879-75-9 |
Synonyms: |
3-(3-Ethenyl-4-piperidinyl)-1-(6-methoxy-4-quinolinyl)-1-propanone |
IUPAC Name: | 3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one |
Description: | 1-(6-Methoxyquinolin-4-yl)-3-(3-vinylpiperidin-4-yl)propan-1-one is a useful intermediate for organic synthesis. |
Molecular Weight: | 324.42 |
Molecular Formula: | C20H24N2O2 |
Canonical SMILES: | COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=C |
InChI: | InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3 |
InChI Key: | DKRSEIPLAZTSFD-UHFFFAOYSA-N |
References: | McKee, R. L., et al. J. Am. Chem. Soc., 66, 2020 (1944); Madhusudanan, K. P., et al. Indian J. Chem. B., 24b, 1248 (1985). |
Complexity: | 439 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.183778013 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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