1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine

C17H24N4O — CID 111896417

IUPAC1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCOCC
InChIInChI=1S/C17H24N4O/c1-3-18-17(20-11-12-22-4-2)21-13-15-8-5-7-14-9-6-10-19-16(14)15/h5-10H,3-4,11-13H2,1-2H3,(H2,18,20,21)
InChIKeyNAAKUADFCRXRGD-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine

1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine (PubChem CID 111896417) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
PubChem CID111896417
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCOCC
InChIInChI=1S/C17H24N4O/c1-3-18-17(20-11-12-22-4-2)21-13-15-8-5-7-14-9-6-10-19-16(14)15/h5-10H,3-4,11-13H2,1-2H3,(H2,18,20,21)
InChIKeyNAAKUADFCRXRGD-UHFFFAOYSA-N
XLogP2.33
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(3-ethoxypropyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111224230
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111651121
1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111891520
2-[[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365060
1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350257
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111214666
1-ethyl-3-[(2-fluorophenyl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111266314
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
CID 111963065
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110996112
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939194
1-ethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111851948

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine (CID 111896417) is 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2cccnc12)NCCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine?
The InChIKey is NAAKUADFCRXRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-18-17(20-11-12-22-4-2)21-13-15-8-5-7-14-9-6-10-19-16(14)15/h5-10H,3-4,11-13H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine?
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine has a molecular weight of 300.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111896417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).