N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

C21H25N7O — CID 109434935

IUPACN'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C21H25N7O/c1-22-21(24-10-8-17-6-3-5-16-7-4-9-23-20(16)17)27-11-12-28(19(29)15-27)18-13-25-26(2)14-18/h3-7,9,13-14H,8,10-12,15H2,1-2H3,(H,22,24)
InChIKeyQDFQTMMTSPTKSN-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.43
Rot. Bonds4

About N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide

N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (PubChem CID 109434935) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
PubChem CID109434935
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C21H25N7O/c1-22-21(24-10-8-17-6-3-5-16-7-4-9-23-20(16)17)27-11-12-28(19(29)15-27)18-13-25-26(2)14-18/h3-7,9,13-14H,8,10-12,15H2,1-2H3,(H,22,24)
InChIKeyQDFQTMMTSPTKSN-UHFFFAOYSA-N
XLogP1.43
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.43
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'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-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'-methyl-4-(1-methylpyrazol-4-yl)-N-(2-naphthalen-1-ylethyl)-3-oxopiperazine-1-carboximidamide
CID 109433415
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433935
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[4-(pyridin-2-ylamino)butyl]piperazine-1-carboximidamide;hydroiodide
CID 109436406
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[2-(3-propoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 109433117
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 109434417
N-[2-(2-chloro-4-fluorophenyl)ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109435396
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-thiophen-3-ylethyl)piperazine-1-carboximidamide
CID 109433733
N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111207422
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 109436371
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboximidamide
CID 109433249

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide (CID 109434935) is N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is C/N=C(/NCCc1cccc2cccnc12)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
The InChIKey is QDFQTMMTSPTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-22-21(24-10-8-17-6-3-5-16-7-4-9-23-20(16)17)27-11-12-28(19(29)15-27)18-13-25-26(2)14-18/h3-7,9,13-14H,8,10-12,15H2,1-2H3,(H,22,24).
What are the key properties of N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide?
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide has a molecular weight of 391.48 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 109434935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).