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

C22H24N2O6 — CID 2910339

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24N2O6/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-12-30-17)21(26)22(27)24(19)9-8-23-10-13-29-14-11-23/h2-7,12,19,26H,8-11,13-14H2,1H3
InChIKeyZUPXBUCGWQUSOW-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.20
Rot. Bonds7

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

3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 2910339) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID2910339
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24N2O6/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-12-30-17)21(26)22(27)24(19)9-8-23-10-13-29-14-11-23/h2-7,12,19,26H,8-11,13-14H2,1H3
InChIKeyZUPXBUCGWQUSOW-UHFFFAOYSA-N
XLogP2.20
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 2910339) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is ZUPXBUCGWQUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-12-30-17)21(26)22(27)24(19)9-8-23-10-13-29-14-11-23/h2-7,12,19,26H,8-11,13-14H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 412.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2910339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).