1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone

C19H19N5O2 — CID 110855024

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5O2/c25-17(14-26-16-6-1-4-15-5-2-7-20-18(15)16)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h1-9H,10-14H2
InChIKeyKGBFTGWJGGOKAB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.75
Rot. Bonds4

About 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone (PubChem CID 110855024) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
PubChem CID110855024
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H19N5O2/c25-17(14-26-16-6-1-4-15-5-2-7-20-18(15)16)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h1-9H,10-14H2
InChIKeyKGBFTGWJGGOKAB-UHFFFAOYSA-N
XLogP1.75
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
2-(2-iodophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 38880193
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-quinolin-8-yloxyacetate
CID 6950984
2-phenoxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 47072316
2-(2-hydroxyethoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110678248
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
CID 166284147

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone (CID 110855024) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone is O=C(COc1cccc2cccnc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
The InChIKey is KGBFTGWJGGOKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17(14-26-16-6-1-4-15-5-2-7-20-18(15)16)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h1-9H,10-14H2.
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone?
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone has a molecular weight of 349.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone is sourced from PubChem (CID 110855024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).