7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole

C13H12N2O — CID 170743594

IUPAC7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])c1nccc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i1D3
InChIKeyBXNJHAXVSOCGBA-FIBGUPNXSA-N
MW215.27 g/mol
LogP3.03
Rot. Bonds2

About 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole

7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole (PubChem CID 170743594) has the molecular formula C13H12N2O and a molecular weight of 215.27 g/mol. Its IUPAC name is 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
PubChem CID170743594
Molecular FormulaC13H12N2O
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])c1nccc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i1D3
InChIKeyBXNJHAXVSOCGBA-FIBGUPNXSA-N
XLogP3.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
1H-indole;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 175384815
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 147230714
3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)prop-2-enoic acid
CID 163192645
methyl N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)carbamate
CID 141175145
3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
CID 54575583
9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline
CID 158854687
2,3,9-trimethoxy-11H-indolo[3,2-c]quinoline
CID 138726902
1-methyl-7-[(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methoxy]-9H-pyrido[3,4-b]indole
CID 170384278
7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
2-(2,4-difluorophenyl)-N-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)acetamide
CID 175599474

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole (CID 170743594) is 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole is [2H]C([2H])([2H])c1nccc2c1[nH]c1cc(OC)ccc12.
What is the InChIKey of 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is BXNJHAXVSOCGBA-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i1D3.
What are the key properties of 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 215.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 170743594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).