4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

C23H21NO4 — CID 135153872

IUPAC4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCOc1cc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)ccn1
InChIInChI=1S/C23H21NO4/c1-14(25)4-7-21-23(20-8-5-15(2)27-20)18-12-16(6-9-19(18)28-21)17-10-11-24-22(13-17)26-3/h5-6,8-13H,4,7H2,1-3H3
InChIKeyMZJNMEMCDLEEAQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.59
Rot. Bonds6

About 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one

4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (PubChem CID 135153872) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.

Molecular Properties

Compound Name4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
PubChem CID135153872
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
SMILESCOc1cc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)ccn1
InChIInChI=1S/C23H21NO4/c1-14(25)4-7-21-23(20-8-5-15(2)27-20)18-12-16(6-9-19(18)28-21)17-10-11-24-22(13-17)26-3/h5-6,8-13H,4,7H2,1-3H3
InChIKeyMZJNMEMCDLEEAQ-UHFFFAOYSA-N
XLogP5.59
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one with MolForge

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Related Compounds

4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one
CID 799488
4-(5-bromo-3-phenyl-1-benzofuran-2-yl)butan-2-one
CID 16762244
[4-[5-chloro-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea
CID 4072732
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
(NZ)-N-[4-[5,7-dibromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylidene]hydroxylamine
CID 5442948
3-[2-[4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
CID 144688899
3-(3,4-dimethoxyphenyl)-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 7198745
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
5-(4-methyl-2-pyridinyl)pentan-2-one
CID 15654481
methyl 2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-carboxylate
CID 24818793
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The IUPAC name of 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one (CID 135153872) is 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one.
What is the SMILES notation for 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The canonical SMILES for 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is COc1cc(-c2ccc3oc(CCC(C)=O)c(-c4ccc(C)o4)c3c2)ccn1.
What is the InChIKey of 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
The InChIKey is MZJNMEMCDLEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14(25)4-7-21-23(20-8-5-15(2)27-20)18-12-16(6-9-19(18)28-21)17-10-11-24-22(13-17)26-3/h5-6,8-13H,4,7H2,1-3H3.
What are the key properties of 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one?
4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one has a molecular weight of 375.42 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxy-4-pyridinyl)-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-one is sourced from PubChem (CID 135153872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).