2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C23H26N2O7 — CID 2909444

IUPAC2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,20,27H,7-10,12-13H2,1-2H3
InChIKeyCLOCOXWERSSZQD-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.21
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 2909444) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID2909444
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,20,27H,7-10,12-13H2,1-2H3
InChIKeyCLOCOXWERSSZQD-UHFFFAOYSA-N
XLogP2.21
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 2909444) is 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is CLOCOXWERSSZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,20,27H,7-10,12-13H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 442.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2909444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).