1,3,5-triethylindole-7-carboxylic acid

C15H19NO2 — CID 83946119

IUPAC1,3,5-triethylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(CC)cn2CC
InChIInChI=1S/C15H19NO2/c1-4-10-7-12-11(5-2)9-16(6-3)14(12)13(8-10)15(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWDXBZDHZDXRFNM-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.48
Rot. Bonds4

About 1,3,5-triethylindole-7-carboxylic acid

1,3,5-triethylindole-7-carboxylic acid (PubChem CID 83946119) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3,5-triethylindole-7-carboxylic acid.

Molecular Properties

Compound Name1,3,5-triethylindole-7-carboxylic acid
PubChem CID83946119
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3,5-triethylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(CC)cn2CC
InChIInChI=1S/C15H19NO2/c1-4-10-7-12-11(5-2)9-16(6-3)14(12)13(8-10)15(17)18/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyWDXBZDHZDXRFNM-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,5-triethylindole-7-carboxylic acid 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

1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83946210
5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
CID 83946131
3-(2-aminoethyl)-1-ethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83946225
1,3-diethyl-6-methylindole-5-carboxylic acid
CID 83963376
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
1-ethyl-3-(sulfanylmethyl)indole-7-carboxylic acid
CID 117182667

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethylindole-7-carboxylic acid?
The IUPAC name of 1,3,5-triethylindole-7-carboxylic acid (CID 83946119) is 1,3,5-triethylindole-7-carboxylic acid.
What is the SMILES notation for 1,3,5-triethylindole-7-carboxylic acid?
The canonical SMILES for 1,3,5-triethylindole-7-carboxylic acid is CCc1cc(C(=O)O)c2c(c1)c(CC)cn2CC.
What is the InChIKey of 1,3,5-triethylindole-7-carboxylic acid?
The InChIKey is WDXBZDHZDXRFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-10-7-12-11(5-2)9-16(6-3)14(12)13(8-10)15(17)18/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1,3,5-triethylindole-7-carboxylic acid?
1,3,5-triethylindole-7-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethylindole-7-carboxylic acid is sourced from PubChem (CID 83946119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).