[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate

C19H17NO4 — CID 7483516

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(O)c3)c[nH]c12
InChIInChI=1S/C19H17NO4/c1-2-12-5-4-8-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-3-7-14(21)9-13/h3-10,20-21H,2,11H2,1H3
InChIKeyQMGKJAMFNBJFCH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.48
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7483516) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7483516
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(O)c3)c[nH]c12
InChIInChI=1S/C19H17NO4/c1-2-12-5-4-8-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-3-7-14(21)9-13/h3-10,20-21H,2,11H2,1H3
InChIKeyQMGKJAMFNBJFCH-UHFFFAOYSA-N
XLogP3.48
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate 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

4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204548
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 41199330
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-carbamoylfuran-3-carboxylate
CID 166212387
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-nitrobenzoate
CID 7859423
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8002292
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate
CID 166376118
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8015250
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525937

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate (CID 7483516) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate is CCc1cccc2c(C(=O)COC(=O)c3cccc(O)c3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is QMGKJAMFNBJFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-12-5-4-8-15-16(10-20-18(12)15)17(22)11-24-19(23)13-6-3-7-14(21)9-13/h3-10,20-21H,2,11H2,1H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 323.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7483516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).