1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine

C24H30N4O2 — CID 111213985

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccc2cccnc12)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H30N4O2/c1-4-25-24(27-15-12-18-10-11-21(29-2)22(17-18)30-3)28-16-13-20-8-5-7-19-9-6-14-26-23(19)20/h5-11,14,17H,4,12-13,15-16H2,1-3H3,(H2,25,27,28)
InChIKeyDRFRMHINNHUMCJ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.59
Rot. Bonds9

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine (PubChem CID 111213985) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine
PubChem CID111213985
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccc2cccnc12)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H30N4O2/c1-4-25-24(27-15-12-18-10-11-21(29-2)22(17-18)30-3)28-16-13-20-8-5-7-19-9-6-14-26-23(19)20/h5-11,14,17H,4,12-13,15-16H2,1-3H3,(H2,25,27,28)
InChIKeyDRFRMHINNHUMCJ-UHFFFAOYSA-N
XLogP3.59
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111214666
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170026
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3,4-dimethoxyphenyl)propyl]-3-ethylguanidine
CID 111213781
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111785270
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111836192
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111213336
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111214141
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111782076
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
1-ethyl-2-[2-(2-fluorophenyl)ethyl]-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111785985
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[3-(3-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111214760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine (CID 111213985) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine is CCN/C(=N\CCc1cccc2cccnc12)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is DRFRMHINNHUMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-25-24(27-15-12-18-10-11-21(29-2)22(17-18)30-3)28-16-13-20-8-5-7-19-9-6-14-26-23(19)20/h5-11,14,17H,4,12-13,15-16H2,1-3H3,(H2,25,27,28).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 406.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 111213985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).