N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide

C21H19N3O2 — CID 112978626

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide
SMILESO=C(COc1ccc2ncccc2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-21(14-26-17-7-8-19-15(12-17)4-3-10-22-19)23-11-9-16-13-24-20-6-2-1-5-18(16)20/h1-8,10,12-13,24H,9,11,14H2,(H,23,25)
InChIKeyVRCGKPIIKZHRPI-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide

N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide (PubChem CID 112978626) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide
PubChem CID112978626
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide
SMILESO=C(COc1ccc2ncccc2c1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-21(14-26-17-7-8-19-15(12-17)4-3-10-22-19)23-11-9-16-13-24-20-6-2-1-5-18(16)20/h1-8,10,12-13,24H,9,11,14H2,(H,23,25)
InChIKeyVRCGKPIIKZHRPI-UHFFFAOYSA-N
XLogP3.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320623
N-[(2-chlorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978604
N-[(2-fluorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978602
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-(1H-indol-3-ylmethyl)quinolin-6-amine
CID 62635279
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-[2-(1H-indol-3-yl)ethyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499402

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide (CID 112978626) is N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide is O=C(COc1ccc2ncccc2c1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide?
The InChIKey is VRCGKPIIKZHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(14-26-17-7-8-19-15(12-17)4-3-10-22-19)23-11-9-16-13-24-20-6-2-1-5-18(16)20/h1-8,10,12-13,24H,9,11,14H2,(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide has a molecular weight of 345.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-6-yloxyacetamide is sourced from PubChem (CID 112978626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).