2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone

C19H26N4O2+2 — CID 6946390

IUPAC2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[NH+]1CCOCC1)N1CCN(c2ccc3ccccc3[nH+]2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(15-21-11-13-25-14-12-21)23-9-7-22(8-10-23)18-6-5-16-3-1-2-4-17(16)20-18/h1-6H,7-15H2/p+2
InChIKeyOHCQHPLWIWKYDG-UHFFFAOYSA-P
MW342.44 g/mol
LogP-0.78
Rot. Bonds3

About 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone

2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone (PubChem CID 6946390) has the molecular formula C19H26N4O2+2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone
PubChem CID6946390
Molecular FormulaC19H26N4O2+2
Molecular Weight342.44 g/mol
Exact Mass342.20
IUPAC Name2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[NH+]1CCOCC1)N1CCN(c2ccc3ccccc3[nH+]2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(15-21-11-13-25-14-12-21)23-9-7-22(8-10-23)18-6-5-16-3-1-2-4-17(16)20-18/h1-6H,7-15H2/p+2
InChIKeyOHCQHPLWIWKYDG-UHFFFAOYSA-P
XLogP-0.78
TPSA51.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9338791
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]-1-morpholin-4-ylethanone
CID 8892920
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 8690719
1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-4-phenylbutane-1,4-dione
CID 9118271
1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone
CID 8595538
1-benzo[b][1]benzazepin-11-yl-2-morpholin-4-ium-4-ylethanone chloride
CID 43834127
2-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8896201
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 7037712
1-(azepan-1-yl)-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]ethanone
CID 9209259
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7998596
2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
CID 6951805

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone (CID 6946390) is 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone is O=C(C[NH+]1CCOCC1)N1CCN(c2ccc3ccccc3[nH+]2)CC1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OHCQHPLWIWKYDG-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H24N4O2/c24-19(15-21-11-13-25-14-12-21)23-9-7-22(8-10-23)18-6-5-16-3-1-2-4-17(16)20-18/h1-6H,7-15H2/p+2.
What are the key properties of 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone?
2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-1-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 6946390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).