2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide

C26H26N4O3 — CID 78847250

IUPAC2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(COCC(=O)NCCc1cccc2cccnc12)NCCc1cccc2cccnc12
InChIInChI=1S/C26H26N4O3/c31-23(27-15-11-21-7-1-5-19-9-3-13-29-25(19)21)17-33-18-24(32)28-16-12-22-8-2-6-20-10-4-14-30-26(20)22/h1-10,13-14H,11-12,15-18H2,(H,27,31)(H,28,32)
InChIKeyUFJHRXGYTXCBDH-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.82
Rot. Bonds10

About 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 78847250) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID78847250
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
SMILESO=C(COCC(=O)NCCc1cccc2cccnc12)NCCc1cccc2cccnc12
InChIInChI=1S/C26H26N4O3/c31-23(27-15-11-21-7-1-5-19-9-3-13-29-25(19)21)17-33-18-24(32)28-16-12-22-8-2-6-20-10-4-14-30-26(20)22/h1-10,13-14H,11-12,15-18H2,(H,27,31)(H,28,32)
InChIKeyUFJHRXGYTXCBDH-UHFFFAOYSA-N
XLogP2.82
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-(2-pyrrolidin-1-ylpropoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 126819530
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-(4-bromo-2-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 39318329
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide (CID 78847250) is 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide is O=C(COCC(=O)NCCc1cccc2cccnc12)NCCc1cccc2cccnc12.
What is the InChIKey of 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is UFJHRXGYTXCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-23(27-15-11-21-7-1-5-19-9-3-13-29-25(19)21)17-33-18-24(32)28-16-12-22-8-2-6-20-10-4-14-30-26(20)22/h1-10,13-14H,11-12,15-18H2,(H,27,31)(H,28,32).
What are the key properties of 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide?
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 78847250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).