2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate

C25H20N2O5 — CID 15163046

IUPAC2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C25H20N2O5/c1-15(28)31-12-11-27-14-19(17-8-4-6-10-21(17)27)23-22(24(29)32-25(23)30)18-13-26(2)20-9-5-3-7-16(18)20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGCIVGLSCOADDKZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.69
Rot. Bonds5

About 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate

2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate (PubChem CID 15163046) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate
PubChem CID15163046
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21
InChIInChI=1S/C25H20N2O5/c1-15(28)31-12-11-27-14-19(17-8-4-6-10-21(17)27)23-22(24(29)32-25(23)30)18-13-26(2)20-9-5-3-7-16(18)20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyGCIVGLSCOADDKZ-UHFFFAOYSA-N
XLogP3.69
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate 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

methyl 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]propanoate
CID 18780303
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
3-[1-(3,7-diamino-4-oxooctyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 139688082
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
(2S)-2-amino-N-[3-amino-5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]-2-oxopentyl]propanamide
CID 139688088
3-(1-methylindol-3-yl)-4-[1-(3,4,5-trihydroxyoxan-2-yl)indol-3-yl]furan-2,5-dione
CID 4639346
3,4-bis[1-(2-chloroethyl)indol-3-yl]-1-methylpyrrole-2,5-dione
CID 23529129
3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl ethanimidothioate
CID 90065578

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate?
The IUPAC name of 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate (CID 15163046) is 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate?
The canonical SMILES for 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate is CC(=O)OCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)OC2=O)c2ccccc21.
What is the InChIKey of 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate?
The InChIKey is GCIVGLSCOADDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-15(28)31-12-11-27-14-19(17-8-4-6-10-21(17)27)23-22(24(29)32-25(23)30)18-13-26(2)20-9-5-3-7-16(18)20/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate?
2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate has a molecular weight of 428.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1-methylindol-3-yl)-2,5-dioxofuran-3-yl]indol-1-yl]ethyl acetate is sourced from PubChem (CID 15163046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).