3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate

C22H24N2O6 — CID 3380297

IUPAC3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C([O-])C(=O)N2CC[NH+]2CCOCC2)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
LogP-0.42
Rot. Bonds7

About 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate

3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate (PubChem CID 3380297) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
PubChem CID3380297
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C([O-])C(=O)N2CC[NH+]2CCOCC2)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
XLogP-0.42
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate
CID 5167139
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 7371697
(2S)-2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one
CID 6980522
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 4756624
3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate
CID 4567686
4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate
CID 3392055
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 7432209
3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-4-olate
CID 5169268
2-ethoxy-4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate
CID 4982611
3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate
CID 4224782
1-[2-(dimethylazaniumyl)ethyl]-3-(furan-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-2H-pyrrol-4-olate
CID 3289088
2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate
CID 4238254

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate?
The IUPAC name of 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate (CID 3380297) is 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate.
What is the SMILES notation for 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate?
The canonical SMILES for 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate is COc1ccc(C2C(C(=O)c3ccco3)=C([O-])C(=O)N2CC[NH+]2CCOCC2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate?
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)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate?
3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate has a molecular weight of 412.44 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate is sourced from PubChem (CID 3380297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).