1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

C23H28N4O — CID 111388472

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NCCc1cc(C)ccc1OC)NCCc1cccc2cccnc12
InChIInChI=1S/C23H28N4O/c1-17-9-10-21(28-3)20(16-17)12-15-27-23(24-2)26-14-11-19-7-4-6-18-8-5-13-25-22(18)19/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,24,26,27)
InChIKeyVVJHKERCSSYTLH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 111388472) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID111388472
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NCCc1cc(C)ccc1OC)NCCc1cccc2cccnc12
InChIInChI=1S/C23H28N4O/c1-17-9-10-21(28-3)20(16-17)12-15-27-23(24-2)26-14-11-19-7-4-6-18-8-5-13-25-22(18)19/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,24,26,27)
InChIKeyVVJHKERCSSYTLH-UHFFFAOYSA-N
XLogP3.50
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.50
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'}

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111937918
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970746
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111389574
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111682143
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134986
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360792
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111797449
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (CID 111388472) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is C/N=C(\NCCc1cc(C)ccc1OC)NCCc1cccc2cccnc12.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is VVJHKERCSSYTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-9-10-21(28-3)20(16-17)12-15-27-23(24-2)26-14-11-19-7-4-6-18-8-5-13-25-22(18)19/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,24,26,27).
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 376.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 111388472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).