ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate

C22H19N3O4 — CID 6885860

IUPACethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C22H19N3O4/c1-2-28-21(26)14-25-13-16(17-8-4-5-9-18(17)25)12-23-24-22(27)20-11-15-7-3-6-10-19(15)29-20/h3-13H,2,14H2,1H3,(H,24,27)/b23-12+
InChIKeyDQAHQZKVLDSZBI-FSJBWODESA-N
MW389.41 g/mol
LogP3.71
Rot. Bonds6

About ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate

ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate (PubChem CID 6885860) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate
PubChem CID6885860
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Nameethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C22H19N3O4/c1-2-28-21(26)14-25-13-16(17-8-4-5-9-18(17)25)12-23-24-22(27)20-11-15-7-3-6-10-19(15)29-20/h3-13H,2,14H2,1H3,(H,24,27)/b23-12+
InChIKeyDQAHQZKVLDSZBI-FSJBWODESA-N
XLogP3.71
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate (CID 6885860) is ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate?
The InChIKey is DQAHQZKVLDSZBI-FSJBWODESA-N. The full InChI is InChI=1S/C22H19N3O4/c1-2-28-21(26)14-25-13-16(17-8-4-5-9-18(17)25)12-23-24-22(27)20-11-15-7-3-6-10-19(15)29-20/h3-13H,2,14H2,1H3,(H,24,27)/b23-12+.
What are the key properties of ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate?
ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate has a molecular weight of 389.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(E)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]indol-1-yl]acetate is sourced from PubChem (CID 6885860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).