(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C25H22N2O4 — CID 58649196

IUPAC(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCOc1ccc(CNc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-18-9-7-15(22(12-18)30-2)13-26-17-8-10-19-16(11-17)14-31-24(19)23-20-5-3-4-6-21(20)27-25(23)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)/b24-23+
InChIKeySZZVJQDVGSASFN-WCWDXBQESA-N
MW414.46 g/mol
LogP4.67
Rot. Bonds5

About (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 58649196) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID58649196
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCOc1ccc(CNc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-18-9-7-15(22(12-18)30-2)13-26-17-8-10-19-16(11-17)14-31-24(19)23-20-5-3-4-6-21(20)27-25(23)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)/b24-23+
InChIKeySZZVJQDVGSASFN-WCWDXBQESA-N
XLogP4.67
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-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

5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-one
CID 22061523
(3E)-3-[5-[(2,4-dimethoxyphenyl)methyl-methylamino]-3H-2-benzofuran-1-ylidene]-5-iodo-1H-indol-2-one
CID 142817267
(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 142669651
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208
(3E)-5-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 10250887
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 58649196) is (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is COc1ccc(CNc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccccc32)c(OC)c1.
What is the InChIKey of (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is SZZVJQDVGSASFN-WCWDXBQESA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-18-9-7-15(22(12-18)30-2)13-26-17-8-10-19-16(11-17)14-31-24(19)23-20-5-3-4-6-21(20)27-25(23)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)/b24-23+.
What are the key properties of (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 414.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[5-[(2,4-dimethoxyphenyl)methylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 58649196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).