1-piperazin-1-yl-2-quinolin-7-yloxyethanone

C15H17N3O2 — CID 107313752

IUPAC1-piperazin-1-yl-2-quinolin-7-yloxyethanone
SMILESO=C(COc1ccc2cccnc2c1)N1CCNCC1
InChIInChI=1S/C15H17N3O2/c19-15(18-8-6-16-7-9-18)11-20-13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,16H,6-9,11H2
InChIKeyZQKPHTGKPGAOQE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.05
Rot. Bonds3

About 1-piperazin-1-yl-2-quinolin-7-yloxyethanone

1-piperazin-1-yl-2-quinolin-7-yloxyethanone (PubChem CID 107313752) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-quinolin-7-yloxyethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-quinolin-7-yloxyethanone
PubChem CID107313752
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-piperazin-1-yl-2-quinolin-7-yloxyethanone
SMILESO=C(COc1ccc2cccnc2c1)N1CCNCC1
InChIInChI=1S/C15H17N3O2/c19-15(18-8-6-16-7-9-18)11-20-13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,16H,6-9,11H2
InChIKeyZQKPHTGKPGAOQE-UHFFFAOYSA-N
XLogP1.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-quinolin-7-yloxyacetohydrazide
CID 107315402
1-(1,4-diazepan-1-yl)-2-quinolin-5-yloxyethanone
CID 103044837
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
CID 28916795
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
CID 67980822
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-quinolin-7-yloxyethanone?
The IUPAC name of 1-piperazin-1-yl-2-quinolin-7-yloxyethanone (CID 107313752) is 1-piperazin-1-yl-2-quinolin-7-yloxyethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-quinolin-7-yloxyethanone?
The canonical SMILES for 1-piperazin-1-yl-2-quinolin-7-yloxyethanone is O=C(COc1ccc2cccnc2c1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-quinolin-7-yloxyethanone?
The InChIKey is ZQKPHTGKPGAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(18-8-6-16-7-9-18)11-20-13-4-3-12-2-1-5-17-14(12)10-13/h1-5,10,16H,6-9,11H2.
What are the key properties of 1-piperazin-1-yl-2-quinolin-7-yloxyethanone?
1-piperazin-1-yl-2-quinolin-7-yloxyethanone has a molecular weight of 271.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-quinolin-7-yloxyethanone is sourced from PubChem (CID 107313752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).