3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C26H26N2O6 — CID 662154

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C26H26N2O6/c1-32-20-9-5-3-7-18(20)23-22(24(29)21-16-17-6-2-4-8-19(17)34-21)25(30)26(31)28(23)11-10-27-12-14-33-15-13-27/h2-9,16,23,30H,10-15H2,1H3
InChIKeyKXXUUEJLMZTEIX-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.35
Rot. Bonds7

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 662154) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID662154
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C26H26N2O6/c1-32-20-9-5-3-7-18(20)23-22(24(29)21-16-17-6-2-4-8-19(17)34-21)25(30)26(31)28(23)11-10-27-12-14-33-15-13-27/h2-9,16,23,30H,10-15H2,1H3
InChIKeyKXXUUEJLMZTEIX-UHFFFAOYSA-N
XLogP3.35
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 662154) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)=C(O)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is KXXUUEJLMZTEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-32-20-9-5-3-7-18(20)23-22(24(29)21-16-17-6-2-4-8-19(17)34-21)25(30)26(31)28(23)11-10-27-12-14-33-15-13-27/h2-9,16,23,30H,10-15H2,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 462.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).