4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one

C23H22N2O4 — CID 108686611

IUPAC4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-4-18(26)20-21(19-13(2)24-17-8-6-5-7-16(17)19)25(23(28)22(20)27)14-9-11-15(29-3)12-10-14/h5-12,21,24,27H,4H2,1-3H3
InChIKeyJHWXHWBHDZLEEW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.36
Rot. Bonds5

About 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one

4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108686611) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108686611
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c1-4-18(26)20-21(19-13(2)24-17-8-6-5-7-16(17)19)25(23(28)22(20)27)14-9-11-15(29-3)12-10-14/h5-12,21,24,27H,4H2,1-3H3
InChIKeyJHWXHWBHDZLEEW-UHFFFAOYSA-N
XLogP4.36
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(3-methoxyphenyl)-3-(3-methylbutanoyl)-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
CID 108686353
1-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
CID 108686527
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
CID 108686630
(4E)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-5-(2-methyl-1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108686594
(4E)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(2-methyl-1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108686616
3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-2H-pyrrol-5-one
CID 108686500
4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108658530
1-(4-ethylphenyl)-4-hydroxy-2-(2-methyl-1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108686550
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(2-methyl-1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108686608
4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-3-propanoyl-2H-pyrrol-5-one
CID 108677159
1-(3,4-dimethylphenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108575948
(4E)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-(2-methyl-1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108686589

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one (CID 108686611) is 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(c2ccc(OC)cc2)C1c1c(C)[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is JHWXHWBHDZLEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-4-18(26)20-21(19-13(2)24-17-8-6-5-7-16(17)19)25(23(28)22(20)27)14-9-11-15(29-3)12-10-14/h5-12,21,24,27H,4H2,1-3H3.
What are the key properties of 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 390.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methoxyphenyl)-2-(2-methyl-1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108686611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).