1-(2,3-Dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole - CAS 331852-80-3
Catalog: |
BB042455 |
Product Name: |
1-(2,3-Dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
CAS: |
331852-80-3 |
Synonyms: |
1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline; 2,3-dimethoxy-1-(1,2,3,4-tetrahydrobeta-carbolinyl)benzene; Oprea1_241017 |
IUPAC Name: | 1-(2,3-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
Description: | 1-(2,3-Dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS# 331852-80-3 ) is a useful research chemical. |
Molecular Weight: | 308.40 |
Molecular Formula: | C19H20N2O2 |
Canonical SMILES: | COC1=CC=CC(=C1OC)C2C3=C(CCN2)C4=CC=CC=C4N3 |
InChI: | InChI=1S/C19H20N2O2/c1-22-16-9-5-7-14(19(16)23-2)17-18-13(10-11-20-17)12-6-3-4-8-15(12)21-18/h3-9,17,20-21H,10-11H2,1-2H3 |
InChI Key: | YQAZPQFCMIGDDS-UHFFFAOYSA-N |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.152477885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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