1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone

C17H21N3O2 — CID 110849960

IUPAC1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
SMILESCCN1CCN(C(=O)COc2cccc3cccnc23)CC1
InChIInChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)16(21)13-22-15-7-3-5-14-6-4-8-18-17(14)15/h3-8H,2,9-13H2,1H3
InChIKeyAEYIAFDLQFMINP-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone

1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone (PubChem CID 110849960) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
PubChem CID110849960
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
SMILESCCN1CCN(C(=O)COc2cccc3cccnc23)CC1
InChIInChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)16(21)13-22-15-7-3-5-14-6-4-8-18-17(14)15/h3-8H,2,9-13H2,1H3
InChIKeyAEYIAFDLQFMINP-UHFFFAOYSA-N
XLogP1.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
1-(4-ethylpiperazin-1-yl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 56824387
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
CID 166284147
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-quinolin-8-yloxyacetate
CID 6950984
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
8-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline
CID 24849053

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone (CID 110849960) is 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone is CCN1CCN(C(=O)COc2cccc3cccnc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The InChIKey is AEYIAFDLQFMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-19-9-11-20(12-10-19)16(21)13-22-15-7-3-5-14-6-4-8-18-17(14)15/h3-8H,2,9-13H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone has a molecular weight of 299.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 110849960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).