2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C34H40N8O2 — CID 4310270

IUPAC2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C34H40N8O2/c43-33(41-21-17-39(18-22-41)31-11-9-27-5-1-3-7-29(27)35-31)25-37-13-15-38(16-14-37)26-34(44)42-23-19-40(20-24-42)32-12-10-28-6-2-4-8-30(28)36-32/h1-12H,13-26H2
InChIKeyHSNQGJNJAPYPTH-UHFFFAOYSA-N
MW592.75 g/mol
LogP2.40
Rot. Bonds6

About 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 4310270) has the molecular formula C34H40N8O2 and a molecular weight of 592.75 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID4310270
Molecular FormulaC34H40N8O2
Molecular Weight592.75 g/mol
Exact Mass592.33
IUPAC Name2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C34H40N8O2/c43-33(41-21-17-39(18-22-41)31-11-9-27-5-1-3-7-29(27)35-31)25-37-13-15-38(16-14-37)26-34(44)42-23-19-40(20-24-42)32-12-10-28-6-2-4-8-30(28)36-32/h1-12H,13-26H2
InChIKeyHSNQGJNJAPYPTH-UHFFFAOYSA-N
XLogP2.40
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764163
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 67323962
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 4310270) is 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HSNQGJNJAPYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O2/c43-33(41-21-17-39(18-22-41)31-11-9-27-5-1-3-7-29(27)35-31)25-37-13-15-38(16-14-37)26-34(44)42-23-19-40(20-24-42)32-12-10-28-6-2-4-8-30(28)36-32/h1-12H,13-26H2.
What are the key properties of 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 592.75 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4310270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).