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Home > Indoles and Oxindole > 694533-71-6
694533-71-6 | 4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CAS No: 694533-71-6 Catalog No: AG01C4A4 MDL No:MFCD18803754
Product Description
Catalog Number:
AG01C4A4
Chemical Name:
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CAS Number:
694533-71-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD18803754
IUPAC Name:
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C13H12N2O/c1-8-13-12(11(16-2)7-14-8)9-5-3-4-6-10(9)15-13/h3-7,15H,1-2H3
InChI Key:
KYXCDOJUFJKHSO-UHFFFAOYSA-N
SMILES:
COc1cnc(c2c1c1ccccc1[nH]2)C
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:
2.7
Literature
| Title | Journal |
|---|---|
| Pi-delocalized beta-carbolinium cations as potential antimalarials. | Bioorganic & medicinal chemistry letters 20040405 |
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