1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

C20H28IN7 — CID 111904492

IUPAC1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1cccn1)NCCNc1ccc2ccccc2n1.I
InChIInChI=1S/C20H27N7.HI/c1-2-21-20(23-11-5-15-27-16-6-12-25-27)24-14-13-22-19-10-9-17-7-3-4-8-18(17)26-19;/h3-4,6-10,12,16H,2,5,11,13-15H2,1H3,(H,22,26)(H2,21,23,24);1H
InChIKeyDSSWAMNOYIZAEM-UHFFFAOYSA-N
MW493.40 g/mol
LogP3.11
Rot. Bonds9

About 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (PubChem CID 111904492) has the molecular formula C20H28IN7 and a molecular weight of 493.40 g/mol. Its IUPAC name is 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
PubChem CID111904492
Molecular FormulaC20H28IN7
Molecular Weight493.40 g/mol
Exact Mass493.15
IUPAC Name1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCn1cccn1)NCCNc1ccc2ccccc2n1.I
InChIInChI=1S/C20H27N7.HI/c1-2-21-20(23-11-5-15-27-16-6-12-25-27)24-14-13-22-19-10-9-17-7-3-4-8-18(17)26-19;/h3-4,6-10,12,16H,2,5,11,13-15H2,1H3,(H,22,26)(H2,21,23,24);1H
InChIKeyDSSWAMNOYIZAEM-UHFFFAOYSA-N
XLogP3.11
TPSA79.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide 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

1-ethyl-2-(4-methylsulfanylbutyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111626337
1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 110926423
1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111187072
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111705388
1-ethyl-3-(2-naphthalen-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905579
N-tert-butyl-2-[[ethylamino-[2-(quinolin-2-ylamino)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382928
1-ethyl-3-(3-phenylpropyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111200019
1-(3-anilinopropyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111904869
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111605332
1-ethyl-2-(3-phenylsulfanylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111288832
1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257215
1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111904388

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (CID 111904492) is 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCn1cccn1)NCCNc1ccc2ccccc2n1.I.
What is the InChIKey of 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The InChIKey is DSSWAMNOYIZAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7.HI/c1-2-21-20(23-11-5-15-27-16-6-12-25-27)24-14-13-22-19-10-9-17-7-3-4-8-18(17)26-19;/h3-4,6-10,12,16H,2,5,11,13-15H2,1H3,(H,22,26)(H2,21,23,24);1H.
What are the key properties of 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide has a molecular weight of 493.40 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111904492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).