2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid

C17H21ClN2O2 — CID 83947656

IUPAC2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
SMILESCc1c(Cl)ccc2c(CCN3CCCC3)cn(CC(=O)O)c12
InChIInChI=1S/C17H21ClN2O2/c1-12-15(18)5-4-14-13(6-9-19-7-2-3-8-19)10-20(17(12)14)11-16(21)22/h4-5,10H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyOSLOHLHPZSRMOP-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.33
Rot. Bonds5

About 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid

2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid (PubChem CID 83947656) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
PubChem CID83947656
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
SMILESCc1c(Cl)ccc2c(CCN3CCCC3)cn(CC(=O)O)c12
InChIInChI=1S/C17H21ClN2O2/c1-12-15(18)5-4-14-13(6-9-19-7-2-3-8-19)10-20(17(12)14)11-16(21)22/h4-5,10H,2-3,6-9,11H2,1H3,(H,21,22)
InChIKeyOSLOHLHPZSRMOP-UHFFFAOYSA-N
XLogP3.33
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947423
2-[4,7-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947576
2-[6-chloro-1-(2-hydroxyethyl)-7-methylindol-3-yl]acetic acid
CID 83945122
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947640
2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3-(6-chloro-7-methyl-3-propylindol-1-yl)propan-1-ol
CID 83945161
2-[5,6-dimethyl-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947403
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673
3-(3-butyl-6-chloro-7-methylindol-1-yl)propan-1-ol
CID 83945163
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid?
The IUPAC name of 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid (CID 83947656) is 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid is Cc1c(Cl)ccc2c(CCN3CCCC3)cn(CC(=O)O)c12.
What is the InChIKey of 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid?
The InChIKey is OSLOHLHPZSRMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12-15(18)5-4-14-13(6-9-19-7-2-3-8-19)10-20(17(12)14)11-16(21)22/h4-5,10H,2-3,6-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid?
2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid has a molecular weight of 320.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid is sourced from PubChem (CID 83947656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).