7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

C19H26N2O3 — CID 83947876

IUPAC7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCO)c12
InChIInChI=1S/C19H26N2O3/c1-2-14-11-16(19(23)24)12-17-15(5-8-20-6-3-4-7-20)13-21(9-10-22)18(14)17/h11-13,22H,2-10H2,1H3,(H,23,24)
InChIKeyHXTKBONIWMIMTC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.53
Rot. Bonds7

About 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83947876) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83947876
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCO)c12
InChIInChI=1S/C19H26N2O3/c1-2-14-11-16(19(23)24)12-17-15(5-8-20-6-3-4-7-20)13-21(9-10-22)18(14)17/h11-13,22H,2-10H2,1H3,(H,23,24)
InChIKeyHXTKBONIWMIMTC-UHFFFAOYSA-N
XLogP2.53
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719775
7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83947882
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83947876) is 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCO)c12.
What is the InChIKey of 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is HXTKBONIWMIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-14-11-16(19(23)24)12-17-15(5-8-20-6-3-4-7-20)13-21(9-10-22)18(14)17/h11-13,22H,2-10H2,1H3,(H,23,24).
What are the key properties of 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83947876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).