1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone

C23H20N2O3 — CID 10339237

IUPAC1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone
SMILESCOc1ccc(N(Cc2ccncc2)c2ccccc2)c2cc(C(C)=O)oc12
InChIInChI=1S/C23H20N2O3/c1-16(26)22-14-19-20(8-9-21(27-2)23(19)28-22)25(18-6-4-3-5-7-18)15-17-10-12-24-13-11-17/h3-14H,15H2,1-2H3
InChIKeyXKUCLXWCDMEOSE-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.38
Rot. Bonds6

About 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone

1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone (PubChem CID 10339237) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone
PubChem CID10339237
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone
SMILESCOc1ccc(N(Cc2ccncc2)c2ccccc2)c2cc(C(C)=O)oc12
InChIInChI=1S/C23H20N2O3/c1-16(26)22-14-19-20(8-9-21(27-2)23(19)28-22)25(18-6-4-3-5-7-18)15-17-10-12-24-13-11-17/h3-14H,15H2,1-2H3
InChIKeyXKUCLXWCDMEOSE-UHFFFAOYSA-N
XLogP5.38
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-acetyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid
CID 10364586
7-methoxy-N-phenyl-4-(2-pyridin-4-ylacetyl)-1-benzofuran-2-carboxamide
CID 22733923
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017
3-[[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]-(pyridin-3-ylmethyl)amino]benzonitrile
CID 10388573
2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 142170864
2-N-benzyl-2-N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylbenzene-1,2-diamine
CID 141191983
N,N-diethyl-4,7-dimethoxy-1-benzofuran-2-carboxamide
CID 163459756
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone (CID 10339237) is 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone is COc1ccc(N(Cc2ccncc2)c2ccccc2)c2cc(C(C)=O)oc12.
What is the InChIKey of 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone?
The InChIKey is XKUCLXWCDMEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16(26)22-14-19-20(8-9-21(27-2)23(19)28-22)25(18-6-4-3-5-7-18)15-17-10-12-24-13-11-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone?
1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone has a molecular weight of 372.42 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-4-[N-(pyridin-4-ylmethyl)anilino]-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 10339237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).