3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C30H28N2O5 — CID 108697204

IUPAC3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28N2O5/c1-4-31(5-2)21-12-14-22(15-13-21)32-27(19-10-16-23(36-3)17-11-19)26(29(34)30(32)35)28(33)25-18-20-8-6-7-9-24(20)37-25/h6-18,27,34H,4-5H2,1-3H3
InChIKeyKUNAEUBGFFIICE-UHFFFAOYSA-N
MW496.56 g/mol
LogP6.07
Rot. Bonds8

About 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108697204) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108697204
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H28N2O5/c1-4-31(5-2)21-12-14-22(15-13-21)32-27(19-10-16-23(36-3)17-11-19)26(29(34)30(32)35)28(33)25-18-20-8-6-7-9-24(20)37-25/h6-18,27,34H,4-5H2,1-3H3
InChIKeyKUNAEUBGFFIICE-UHFFFAOYSA-N
XLogP6.07
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681462
3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108670699
1-[4-(diethylamino)phenyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108697226
3-(1-benzofuran-2-carbonyl)-1-[3-(diethylamino)propyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 3324353
3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674787
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108631931
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108720361
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108575795
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108616714
3-(5-chloro-1-benzofuran-2-carbonyl)-2-[4-(diethylamino)phenyl]-1-(3,4-dimethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108710458
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677135
3-(1-benzofuran-2-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108703518

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 108697204) is 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is CCN(CC)c1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is KUNAEUBGFFIICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-4-31(5-2)21-12-14-22(15-13-21)32-27(19-10-16-23(36-3)17-11-19)26(29(34)30(32)35)28(33)25-18-20-8-6-7-9-24(20)37-25/h6-18,27,34H,4-5H2,1-3H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 496.56 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-[4-(diethylamino)phenyl]-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108697204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).