4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C26H32N2O7 — CID 662182

IUPAC4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C26H32N2O7/c1-4-13-34-19-8-6-18(16-21(19)32-3)23-22(24(29)20-7-5-17(2)35-20)25(30)26(31)28(23)10-9-27-11-14-33-15-12-27/h5-8,16,23,30H,4,9-15H2,1-3H3
InChIKeyQAWINFFLUYZCRE-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.30
Rot. Bonds10

About 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 662182) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID662182
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C26H32N2O7/c1-4-13-34-19-8-6-18(16-21(19)32-3)23-22(24(29)20-7-5-17(2)35-20)25(30)26(31)28(23)10-9-27-11-14-33-15-12-27/h5-8,16,23,30H,4,9-15H2,1-3H3
InChIKeyQAWINFFLUYZCRE-UHFFFAOYSA-N
XLogP3.30
TPSA101.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 662182) is 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC.
What is the InChIKey of 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is QAWINFFLUYZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-4-13-34-19-8-6-18(16-21(19)32-3)23-22(24(29)20-7-5-17(2)35-20)25(30)26(31)28(23)10-9-27-11-14-33-15-12-27/h5-8,16,23,30H,4,9-15H2,1-3H3.
What are the key properties of 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 484.55 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).