5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C13H16N2O2 — CID 82495738

IUPAC5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc(OC)c2c3c([nH]c12)CNCC3
InChIInChI=1S/C13H16N2O2/c1-16-10-3-4-11(17-2)13-12(10)8-5-6-14-7-9(8)15-13/h3-4,14-15H,5-7H2,1-2H3
InChIKeyMZJSHUCKRNUTRH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.83
Rot. Bonds2

About 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 82495738) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID82495738
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCOc1ccc(OC)c2c3c([nH]c12)CNCC3
InChIInChI=1S/C13H16N2O2/c1-16-10-3-4-11(17-2)13-12(10)8-5-6-14-7-9(8)15-13/h3-4,14-15H,5-7H2,1-2H3
InChIKeyMZJSHUCKRNUTRH-UHFFFAOYSA-N
XLogP1.83
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
8-bromo-5-methoxy-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 54967458
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 83843758
5-methoxy-8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-6-amine
CID 14468468
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
(7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-yl) acetate
CID 11775678
4-(2-methoxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 117101919
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
1,2,5,8-tetramethoxy-9H-carbazole
CID 171715062
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
CID 84740818

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 82495738) is 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is COc1ccc(OC)c2c3c([nH]c12)CNCC3.
What is the InChIKey of 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is MZJSHUCKRNUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-10-3-4-11(17-2)13-12(10)8-5-6-14-7-9(8)15-13/h3-4,14-15H,5-7H2,1-2H3.
What are the key properties of 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 232.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 82495738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).