N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

C22H27N7 — CID 111206292

IUPACN-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H27N7/c1-2-23-21(28-14-16-29(17-15-28)22-25-11-5-12-26-22)27-13-9-19-7-3-6-18-8-4-10-24-20(18)19/h3-8,10-12H,2,9,13-17H2,1H3,(H,23,27)
InChIKeyIUQGKYQFRXFAHI-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (PubChem CID 111206292) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
PubChem CID111206292
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC NameN-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H27N7/c1-2-23-21(28-14-16-29(17-15-28)22-25-11-5-12-26-22)27-13-9-19-7-3-6-18-8-4-10-24-20(18)19/h3-8,10-12H,2,9,13-17H2,1H3,(H,23,27)
InChIKeyIUQGKYQFRXFAHI-UHFFFAOYSA-N
XLogP2.36
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
CID 110956662
N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111207422
N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168126
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
N'-[2-(2-ethoxyphenyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207699
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206514
N-ethyl-4-pyrimidin-2-yl-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111206217
N'-[2-(5-bromothiophen-2-yl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206441
N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207964
N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205477
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207898
N-ethyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207106

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (CID 111206292) is N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is CCN/C(=N\CCc1cccc2cccnc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The InChIKey is IUQGKYQFRXFAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-2-23-21(28-14-16-29(17-15-28)22-25-11-5-12-26-22)27-13-9-19-7-3-6-18-8-4-10-24-20(18)19/h3-8,10-12H,2,9,13-17H2,1H3,(H,23,27).
What are the key properties of N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide has a molecular weight of 389.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111206292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).