2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone

C20H20N2O3 — CID 155983415

IUPAC2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCOC(c4ccncc4)C3)coc2c1
InChIInChI=1S/C20H20N2O3/c1-14-2-3-17-16(13-25-18(17)10-14)11-20(23)22-8-9-24-19(12-22)15-4-6-21-7-5-15/h2-7,10,13,19H,8-9,11-12H2,1H3
InChIKeyCBVNRJIWLATFDK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.28
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone

2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone (PubChem CID 155983415) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
PubChem CID155983415
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCOC(c4ccncc4)C3)coc2c1
InChIInChI=1S/C20H20N2O3/c1-14-2-3-17-16(13-25-18(17)10-14)11-20(23)22-8-9-24-19(12-22)15-4-6-21-7-5-15/h2-7,10,13,19H,8-9,11-12H2,1H3
InChIKeyCBVNRJIWLATFDK-UHFFFAOYSA-N
XLogP3.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
2-(3-fluorophenyl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983401
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
2-(6-methyl-1-benzofuran-3-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56722484
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560326
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 110102604
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 86912129

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone (CID 155983415) is 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone is Cc1ccc2c(CC(=O)N3CCOC(c4ccncc4)C3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
The InChIKey is CBVNRJIWLATFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-2-3-17-16(13-25-18(17)10-14)11-20(23)22-8-9-24-19(12-22)15-4-6-21-7-5-15/h2-7,10,13,19H,8-9,11-12H2,1H3.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone?
2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone is sourced from PubChem (CID 155983415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).