8-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester - CAS 1427588-44-0
Catalog: |
BB009445 |
Product Name: |
8-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester |
CAS: |
1427588-44-0 |
Synonyms: |
8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one; 8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one |
IUPAC Name: | 8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one |
Description: | 8-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester (CAS# 1427588-44-0) is a useful research chemical. |
Molecular Weight: | 321.61 |
Molecular Formula: | C16H21ClNO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)Cl)N(C(=O)CC3)C |
InChI: | InChI=1S/C16H21BClNO3/c1-15(2)16(3,4)22-17(21-15)11-8-10-6-7-13(20)19(5)14(10)12(18)9-11/h8-9H,6-7H2,1-5H3 |
InChI Key: | MKYZPVTYDATXLW-UHFFFAOYSA-N |
MDL: | MFCD22415245 |
LogP: | 2.61320 |
Publication Number | Title | Priority Date |
CN-106795138-B | Novel dihydroquinoline pyrazolyl compound | 20141031 |
EP-3212631-B1 | Pyrazolyl-3,4-dihydroquinolin-2-one aldosterone synthase inhibitors | 20141031 |
EP-3212638-A1 | New dihydroquinoline pyrazolyl compounds as aldosterone synthase inhibitors | 20141031 |
EP-3212638-B1 | New dihydroquinoline pyrazolyl compounds as aldosterone synthase inhibitors | 20141031 |
JP-2017532334-A | Novel dihydroquinoline pyrazolyl compounds | 20141031 |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.1303014 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.1303014 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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