3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid

C21H18N2O3 — CID 71545646

IUPAC3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1
InChIInChI=1S/C21H18N2O3/c24-21(25)20-17(16-6-1-2-8-19(16)23-20)7-4-12-26-15-9-10-18-14(13-15)5-3-11-22-18/h1-3,5-6,8-11,13,23H,4,7,12H2,(H,24,25)
InChIKeyJFVBJAUNZGZXBK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.43
Rot. Bonds6

About 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid

3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid (PubChem CID 71545646) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid
PubChem CID71545646
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1
InChIInChI=1S/C21H18N2O3/c24-21(25)20-17(16-6-1-2-8-19(16)23-20)7-4-12-26-15-9-10-18-14(13-15)5-3-11-22-18/h1-3,5-6,8-11,13,23H,4,7,12H2,(H,24,25)
InChIKeyJFVBJAUNZGZXBK-UHFFFAOYSA-N
XLogP4.43
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-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

Related Compounds

4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
CID 135974865
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
6-tridecoxyquinoline
CID 174908858
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide
CID 112978626
N-methylsulfonyl-3-[3-(3-phenoxyphenoxy)propyl]-1H-indole-2-carboxamide
CID 90083863
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788
3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide
CID 155322271
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
3-(3-naphthalen-1-yloxypropyl)-7-[(E)-2-phenylethenyl]-1H-indole-2-carboxylic acid
CID 25022384
5-[2-[(2-carboxybenzoyl)amino]ethoxy]-3-[2-[(2-carboxybenzoyl)amino]ethyl]-1H-indole-2-carboxylic acid
CID 15140322

Frequently Asked Questions

What is the IUPAC name of 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid (CID 71545646) is 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc2ncccc2c1.
What is the InChIKey of 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid?
The InChIKey is JFVBJAUNZGZXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21(25)20-17(16-6-1-2-8-19(16)23-20)7-4-12-26-15-9-10-18-14(13-15)5-3-11-22-18/h1-3,5-6,8-11,13,23H,4,7,12H2,(H,24,25).
What are the key properties of 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid?
3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 71545646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).