3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one

C26H24ClN3O4 — CID 108605975

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cn(C)c2ccccc12
InChIInChI=1S/C26H24ClN3O4/c1-28(2)10-11-30-23(18-14-29(3)19-7-5-4-6-17(18)19)22(25(32)26(30)33)24(31)21-13-15-12-16(27)8-9-20(15)34-21/h4-9,12-14,23,32H,10-11H2,1-3H3
InChIKeyWPMSDTSWSAPRTQ-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.72
Rot. Bonds6

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one (PubChem CID 108605975) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
PubChem CID108605975
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cn(C)c2ccccc12
InChIInChI=1S/C26H24ClN3O4/c1-28(2)10-11-30-23(18-14-29(3)19-7-5-4-6-17(18)19)22(25(32)26(30)33)24(31)21-13-15-12-16(27)8-9-20(15)34-21/h4-9,12-14,23,32H,10-11H2,1-3H3
InChIKeyWPMSDTSWSAPRTQ-UHFFFAOYSA-N
XLogP4.72
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one 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-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646456
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108651974
3-(5-bromo-1-benzofuran-2-carbonyl)-1-butyl-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108650237
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-propyl-2H-pyrrol-5-one
CID 108640583
1-butyl-3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108650236
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108605974
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(3-methoxy-4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108693468
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108662884
1-butyl-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108614846
3-(5-chloro-1-benzofuran-2-carbonyl)-2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108580535
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 4865764
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108695686

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one (CID 108605975) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3cc(Cl)ccc3o2)C1c1cn(C)c2ccccc12.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one?
The InChIKey is WPMSDTSWSAPRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4/c1-28(2)10-11-30-23(18-14-29(3)19-7-5-4-6-17(18)19)22(25(32)26(30)33)24(31)21-13-15-12-16(27)8-9-20(15)34-21/h4-9,12-14,23,32H,10-11H2,1-3H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one has a molecular weight of 477.95 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108605975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).