1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C19H23IN4S — CID 111350257

IUPAC1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCc1cccs1.I
InChIInChI=1S/C19H22N4S.HI/c1-2-20-19(22-12-10-17-9-5-13-24-17)23-14-16-7-3-6-15-8-4-11-21-18(15)16;/h3-9,11,13H,2,10,12,14H2,1H3,(H2,20,22,23);1H
InChIKeyGGTJUBSIXKJREN-UHFFFAOYSA-N
MW466.39 g/mol
LogP4.21
Rot. Bonds6

About 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111350257) has the molecular formula C19H23IN4S and a molecular weight of 466.39 g/mol. Its IUPAC name is 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111350257
Molecular FormulaC19H23IN4S
Molecular Weight466.39 g/mol
Exact Mass466.07
IUPAC Name1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCc1cccs1.I
InChIInChI=1S/C19H22N4S.HI/c1-2-20-19(22-12-10-17-9-5-13-24-17)23-14-16-7-3-6-15-8-4-11-21-18(15)16;/h3-9,11,13H,2,10,12,14H2,1H3,(H2,20,22,23);1H
InChIKeyGGTJUBSIXKJREN-UHFFFAOYSA-N
XLogP4.21
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111350468
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111380236
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 111896417
1-(3-ethoxypropyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111224230
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111214666
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110996112
1-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351487
1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111891520
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349604
1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350617
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-quinolin-8-ylethyl)guanidine
CID 109429295

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111350257) is 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\Cc1cccc2cccnc12)NCCc1cccs1.I.
What is the InChIKey of 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is GGTJUBSIXKJREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S.HI/c1-2-20-19(22-12-10-17-9-5-13-24-17)23-14-16-7-3-6-15-8-4-11-21-18(15)16;/h3-9,11,13H,2,10,12,14H2,1H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 466.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111350257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).