[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

C22H23NO6 — CID 8015249

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)c[nH]c12
InChIInChI=1S/C22H23NO6/c1-5-13-7-6-8-14-16(11-23-19(13)14)17(24)12-29-22(25)15-9-10-18(26-2)21(28-4)20(15)27-3/h6-11,23H,5,12H2,1-4H3
InChIKeyRQPZAUSKBXRTOF-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.80
Rot. Bonds8

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (PubChem CID 8015249) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
PubChem CID8015249
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)c[nH]c12
InChIInChI=1S/C22H23NO6/c1-5-13-7-6-8-14-16(11-23-19(13)14)17(24)12-29-22(25)15-9-10-18(26-2)21(28-4)20(15)27-3/h6-11,23H,5,12H2,1-4H3
InChIKeyRQPZAUSKBXRTOF-UHFFFAOYSA-N
XLogP3.80
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate with MolForge

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Related Compounds

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8015250
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-methoxyphenyl)propanoate
CID 7871052
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 8015241
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512597
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7649508
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767738
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 7718455

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate (CID 8015249) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is CCc1cccc2c(C(=O)COC(=O)c3ccc(OC)c(OC)c3OC)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is RQPZAUSKBXRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-5-13-7-6-8-14-16(11-23-19(13)14)17(24)12-29-22(25)15-9-10-18(26-2)21(28-4)20(15)27-3/h6-11,23H,5,12H2,1-4H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 397.43 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 8015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).