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

C20H28N2O2 — CID 83947984

IUPAC1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid
SMILESCCn1cc(CCN2CCCC2)c2cc(C(C)C)cc(C(=O)O)c21
InChIInChI=1S/C20H28N2O2/c1-4-22-13-15(7-10-21-8-5-6-9-21)17-11-16(14(2)3)12-18(19(17)22)20(23)24/h11-14H,4-10H2,1-3H3,(H,23,24)
InChIKeyGJLMZEGCWDQVNK-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.12
Rot. Bonds6

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

1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid (PubChem CID 83947984) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid
PubChem CID83947984
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid
SMILESCCn1cc(CCN2CCCC2)c2cc(C(C)C)cc(C(=O)O)c21
InChIInChI=1S/C20H28N2O2/c1-4-22-13-15(7-10-21-8-5-6-9-21)17-11-16(14(2)3)12-18(19(17)22)20(23)24/h11-14H,4-10H2,1-3H3,(H,23,24)
InChIKeyGJLMZEGCWDQVNK-UHFFFAOYSA-N
XLogP4.12
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-ethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83946225
1-methyl-3-(2-piperazin-1-ylethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83947991
3-butyl-1-(3-hydroxypropyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946285
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
3-butyl-1,5-di(propan-2-yl)indole-7-carboxylic acid
CID 83946264
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid?
The IUPAC name of 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid (CID 83947984) is 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid?
The canonical SMILES for 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid is CCn1cc(CCN2CCCC2)c2cc(C(C)C)cc(C(=O)O)c21.
What is the InChIKey of 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid?
The InChIKey is GJLMZEGCWDQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-22-13-15(7-10-21-8-5-6-9-21)17-11-16(14(2)3)12-18(19(17)22)20(23)24/h11-14H,4-10H2,1-3H3,(H,23,24).
What are the key properties of 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid?
1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-7-carboxylic acid is sourced from PubChem (CID 83947984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).