2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide

C20H27N3O2 — CID 126819530

IUPAC2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC(COCC(=O)NCCc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C20H27N3O2/c1-16(23-12-2-3-13-23)14-25-15-19(24)21-11-9-18-7-4-6-17-8-5-10-22-20(17)18/h4-8,10,16H,2-3,9,11-15H2,1H3,(H,21,24)
InChIKeyRURUERQVRWTKJR-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.39
Rot. Bonds8

About 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide

2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 126819530) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID126819530
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC(COCC(=O)NCCc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C20H27N3O2/c1-16(23-12-2-3-13-23)14-25-15-19(24)21-11-9-18-7-4-6-17-8-5-10-22-20(17)18/h4-8,10,16H,2-3,9,11-15H2,1H3,(H,21,24)
InChIKeyRURUERQVRWTKJR-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide (CID 126819530) is 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide is CC(COCC(=O)NCCc1cccc2cccnc12)N1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is RURUERQVRWTKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16(23-12-2-3-13-23)14-25-15-19(24)21-11-9-18-7-4-6-17-8-5-10-22-20(17)18/h4-8,10,16H,2-3,9,11-15H2,1H3,(H,21,24).
What are the key properties of 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide?
2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 126819530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).