2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide

C21H20N4O — CID 109002395

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)Nc1cccc2cccnc12
InChIInChI=1S/C21H20N4O/c26-20(25-19-9-3-5-15-6-4-11-23-21(15)19)14-22-12-10-16-13-24-18-8-2-1-7-17(16)18/h1-9,11,13,22,24H,10,12,14H2,(H,25,26)
InChIKeyWGZPXNCRBREVJI-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.49
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide

2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide (PubChem CID 109002395) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide
PubChem CID109002395
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)Nc1cccc2cccnc12
InChIInChI=1S/C21H20N4O/c26-20(25-19-9-3-5-15-6-4-11-23-21(15)19)14-22-12-10-16-13-24-18-8-2-1-7-17(16)18/h1-9,11,13,22,24H,10,12,14H2,(H,25,26)
InChIKeyWGZPXNCRBREVJI-UHFFFAOYSA-N
XLogP3.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide 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

N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320623
N-(5-bromoquinolin-8-yl)-2-(1H-indol-3-yl)acetamide
CID 35286701
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide (CID 109002395) is 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide is O=C(CNCCc1c[nH]c2ccccc12)Nc1cccc2cccnc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide?
The InChIKey is WGZPXNCRBREVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(25-19-9-3-5-15-6-4-11-23-21(15)19)14-22-12-10-16-13-24-18-8-2-1-7-17(16)18/h1-9,11,13,22,24H,10,12,14H2,(H,25,26).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109002395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).