2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide

C26H28N4O3+2 — CID 23386918

IUPAC2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide
SMILESO=C(C[n+]1cccc2ccccc21)NCCOCCNC(=O)C[n+]1cccc2ccccc21
InChIInChI=1S/C26H26N4O3/c31-25(19-29-15-5-9-21-7-1-3-11-23(21)29)27-13-17-33-18-14-28-26(32)20-30-16-6-10-22-8-2-4-12-24(22)30/h1-12,15-16H,13-14,17-20H2/p+2
InChIKeySWDZGSYFTBNZRG-UHFFFAOYSA-P
MW444.54 g/mol
LogP1.52
Rot. Bonds10

About 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide

2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide (PubChem CID 23386918) has the molecular formula C26H28N4O3+2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide
PubChem CID23386918
Molecular FormulaC26H28N4O3+2
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide
SMILESO=C(C[n+]1cccc2ccccc21)NCCOCCNC(=O)C[n+]1cccc2ccccc21
InChIInChI=1S/C26H26N4O3/c31-25(19-29-15-5-9-21-7-1-3-11-23(21)29)27-13-17-33-18-14-28-26(32)20-30-16-6-10-22-8-2-4-12-24(22)30/h1-12,15-16H,13-14,17-20H2/p+2
InChIKeySWDZGSYFTBNZRG-UHFFFAOYSA-P
XLogP1.52
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide with MolForge

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Related Compounds

N-5-isoquinolinyl-N'-[4-(4-morpholinyl)benzyl]urea
CID 10248092
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
Morpholin-4-yl-acetic acid, N'-acridin-9-yl-hydrazide
CID 4027061
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
2-(acridin-9-ylamino)-N-[3-(acridin-9-ylamino)propyl]acetamide
CID 13500691
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
2-amino-N-[2-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 155546976
Quinoline, 4-(4-morpholinyl)-2-(2-pyridinyl)-
CID 453059
N-hydroxy-N',N'-bis[2-oxo-2-(quinolin-8-ylamino)ethyl]heptanediamide
CID 44457003
18-Oxa-15,21-diaza-1,7-diazoniapentacyclo[20.6.2.27,14.08,13.023,28]dotriaconta-1(29),7(32),8,10,12,14(31),22(30),23,25,27-decaene diiodide
CID 67722872
3-[2-[4-(2-phenylphenyl)piperazin-1-yl]ethoxy]-N-(pyridin-4-ylmethyl)propanamide
CID 76284193

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide?
The IUPAC name of 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide (CID 23386918) is 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide is O=C(C[n+]1cccc2ccccc21)NCCOCCNC(=O)C[n+]1cccc2ccccc21.
What is the InChIKey of 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide?
The InChIKey is SWDZGSYFTBNZRG-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H26N4O3/c31-25(19-29-15-5-9-21-7-1-3-11-23(21)29)27-13-17-33-18-14-28-26(32)20-30-16-6-10-22-8-2-4-12-24(22)30/h1-12,15-16H,13-14,17-20H2/p+2.
What are the key properties of 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide?
2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 1.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-1-ium-1-yl-N-[2-[2-[(2-quinolin-1-ium-1-ylacetyl)amino]ethoxy]ethyl]acetamide is sourced from PubChem (CID 23386918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).