3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one

C20H22N2O4 — CID 91638253

IUPAC3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
SMILESCOc1ccc2c(c1)c(C(=O)Cn1ccc(=O)c(OC)c1C)c(C)n2C
InChIInChI=1S/C20H22N2O4/c1-12-19(15-10-14(25-4)6-7-16(15)21(12)3)18(24)11-22-9-8-17(23)20(26-5)13(22)2/h6-10H,11H2,1-5H3
InChIKeyDCXJQYQNQBRKHF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds5

About 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one

3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one (PubChem CID 91638253) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
PubChem CID91638253
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one
SMILESCOc1ccc2c(c1)c(C(=O)Cn1ccc(=O)c(OC)c1C)c(C)n2C
InChIInChI=1S/C20H22N2O4/c1-12-19(15-10-14(25-4)6-7-16(15)21(12)3)18(24)11-22-9-8-17(23)20(26-5)13(22)2/h6-10H,11H2,1-5H3
InChIKeyDCXJQYQNQBRKHF-UHFFFAOYSA-N
XLogP2.86
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one?
The IUPAC name of 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one (CID 91638253) is 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one is COc1ccc2c(c1)c(C(=O)Cn1ccc(=O)c(OC)c1C)c(C)n2C.
What is the InChIKey of 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one?
The InChIKey is DCXJQYQNQBRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-19(15-10-14(25-4)6-7-16(15)21(12)3)18(24)11-22-9-8-17(23)20(26-5)13(22)2/h6-10H,11H2,1-5H3.
What are the key properties of 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one?
3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one has a molecular weight of 354.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-2-methylpyridin-4-one is sourced from PubChem (CID 91638253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).