6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid

C19H22N2O3 — CID 10215185

IUPAC6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid
SMILESCCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)c1cc[nH]c1
InChIInChI=1S/C19H22N2O3/c1-2-3-4-12(13-5-7-20-11-13)9-14-10-16(22)17(19(23)24)18-15(14)6-8-21-18/h5-8,10-12,20-22H,2-4,9H2,1H3,(H,23,24)
InChIKeyOUOQONHTTFRPAN-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.42
Rot. Bonds7

About 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid

6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid (PubChem CID 10215185) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid
PubChem CID10215185
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid
SMILESCCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)c1cc[nH]c1
InChIInChI=1S/C19H22N2O3/c1-2-3-4-12(13-5-7-20-11-13)9-14-10-16(22)17(19(23)24)18-15(14)6-8-21-18/h5-8,10-12,20-22H,2-4,9H2,1H3,(H,23,24)
InChIKeyOUOQONHTTFRPAN-UHFFFAOYSA-N
XLogP4.42
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid?
The IUPAC name of 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid (CID 10215185) is 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid is CCCCC(Cc1cc(O)c(C(=O)O)c2[nH]ccc12)c1cc[nH]c1.
What is the InChIKey of 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid?
The InChIKey is OUOQONHTTFRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-3-4-12(13-5-7-20-11-13)9-14-10-16(22)17(19(23)24)18-15(14)6-8-21-18/h5-8,10-12,20-22H,2-4,9H2,1H3,(H,23,24).
What are the key properties of 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid?
6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[2-(1H-pyrrol-3-yl)hexyl]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 10215185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).