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Home > Indoles and Oxindole > 3589-72-8
3589-72-8 | 9H-Pyrido[3,4-b]indole,6-methoxy-1-methyl-
CAS No: 3589-72-8 Catalog No: AG007DA9 MDL No:
Product Description
Catalog Number:
AG007DA9
Chemical Name:
9H-Pyrido[3,4-b]indole,6-methoxy-1-methyl-
CAS Number:
3589-72-8
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3
InChI Key:
XYYVPBBISSKKQB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1CCN=C(c1[nH]2)C
UNII:
48GQI7H930
NSC Number:
92536
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 6-Hydroxy- and 6-methoxy-beta-carbolines as acetyl- and butyrylcholinesterase inhibitors. | Bioorganic & medicinal chemistry letters 20061115 |
| Binding of tetrahydrocarboline derivatives at human 5-HT5A receptors. | Journal of medicinal chemistry 20030828 |
| Beta-carbolines as specific inhibitors of cyclin-dependent kinases. | Bioorganic & medicinal chemistry letters 20020408 |
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