3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one

C25H22ClNO8 — CID 108665111

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H22ClNO8/c1-31-6-5-27-21(13-3-4-16-17(10-13)34-8-7-33-16)20(23(29)25(27)30)22(28)18-11-14-9-15(26)12-19(32-2)24(14)35-18/h3-4,9-12,21,29H,5-8H2,1-2H3
InChIKeyWMIHSLNSOAQOKL-UHFFFAOYSA-N
MW499.90 g/mol
LogP4.09
Rot. Bonds7

About 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one (PubChem CID 108665111) has the molecular formula C25H22ClNO8 and a molecular weight of 499.90 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
PubChem CID108665111
Molecular FormulaC25H22ClNO8
Molecular Weight499.90 g/mol
Exact Mass499.10
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H22ClNO8/c1-31-6-5-27-21(13-3-4-16-17(10-13)34-8-7-33-16)20(23(29)25(27)30)22(28)18-11-14-9-15(26)12-19(32-2)24(14)35-18/h3-4,9-12,21,29H,5-8H2,1-2H3
InChIKeyWMIHSLNSOAQOKL-UHFFFAOYSA-N
XLogP4.09
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one with MolForge

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Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643695
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-[4-(diethylamino)phenyl]-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 108583576
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108641603
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108650497
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108612875
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2H-pyrrol-5-one
CID 108600581
[5-[3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenyl] acetate
CID 108696900
1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 108707215
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2H-pyrrol-5-one
CID 108600645
1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108689756
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108699026
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643280

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one (CID 108665111) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)cc(OC)c3o2)C1c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one?
The InChIKey is WMIHSLNSOAQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO8/c1-31-6-5-27-21(13-3-4-16-17(10-13)34-8-7-33-16)20(23(29)25(27)30)22(28)18-11-14-9-15(26)12-19(32-2)24(14)35-18/h3-4,9-12,21,29H,5-8H2,1-2H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one has a molecular weight of 499.90 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108665111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).