1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

C19H26N2O3 — CID 83946979

IUPAC1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCCO
InChIInChI=1S/C19H26N2O3/c1-14-11-18-17(12-16(14)19(23)24)15(13-21(18)8-4-10-22)5-9-20-6-2-3-7-20/h11-13,22H,2-10H2,1H3,(H,23,24)
InChIKeyFAOQGCUNSWDYIG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.67
Rot. Bonds7

About 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83946979) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83946979
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCCO
InChIInChI=1S/C19H26N2O3/c1-14-11-18-17(12-16(14)19(23)24)15(13-21(18)8-4-10-22)5-9-20-6-2-3-7-20/h11-13,22H,2-10H2,1H3,(H,23,24)
InChIKeyFAOQGCUNSWDYIG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83946979) is 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is FAOQGCUNSWDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-11-18-17(12-16(14)19(23)24)15(13-21(18)8-4-10-22)5-9-20-6-2-3-7-20/h11-13,22H,2-10H2,1H3,(H,23,24).
What are the key properties of 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83946979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).