1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one

C18H20N2O2 — CID 3829344

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one
SMILESCOc1ccc2[nH]cc(CCn3ccc(=O)c(C)c3C)c2c1
InChIInChI=1S/C18H20N2O2/c1-12-13(2)20(9-7-18(12)21)8-6-14-11-19-17-5-4-15(22-3)10-16(14)17/h4-5,7,9-11,19H,6,8H2,1-3H3
InChIKeyYMNGOAAGWZTKEI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one (PubChem CID 3829344) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one
PubChem CID3829344
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one
SMILESCOc1ccc2[nH]cc(CCn3ccc(=O)c(C)c3C)c2c1
InChIInChI=1S/C18H20N2O2/c1-12-13(2)20(9-7-18(12)21)8-6-14-11-19-17-5-4-15(22-3)10-16(14)17/h4-5,7,9-11,19H,6,8H2,1-3H3
InChIKeyYMNGOAAGWZTKEI-UHFFFAOYSA-N
XLogP3.20
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one (CID 3829344) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one is COc1ccc2[nH]cc(CCn3ccc(=O)c(C)c3C)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one?
The InChIKey is YMNGOAAGWZTKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-13(2)20(9-7-18(12)21)8-6-14-11-19-17-5-4-15(22-3)10-16(14)17/h4-5,7,9-11,19H,6,8H2,1-3H3.
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,3-dimethylpyridin-4-one is sourced from PubChem (CID 3829344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).