2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide

C20H24IN5 — CID 111193893

IUPAC2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccn1)NCCc1cccc2cccnc12.I
InChIInChI=1S/C20H23N5.HI/c1-21-20(25-15-11-18-9-2-3-12-22-18)24-14-10-17-7-4-6-16-8-5-13-23-19(16)17;/h2-9,12-13H,10-11,14-15H2,1H3,(H2,21,24,25);1H
InChIKeyMKYSYQBMUPBXGS-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.20
Rot. Bonds6

About 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide

2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide (PubChem CID 111193893) has the molecular formula C20H24IN5 and a molecular weight of 461.35 g/mol. Its IUPAC name is 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
PubChem CID111193893
Molecular FormulaC20H24IN5
Molecular Weight461.35 g/mol
Exact Mass461.11
IUPAC Name2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccn1)NCCc1cccc2cccnc12.I
InChIInChI=1S/C20H23N5.HI/c1-21-20(25-15-11-18-9-2-3-12-22-18)24-14-10-17-7-4-6-16-8-5-13-23-19(16)17;/h2-9,12-13H,10-11,14-15H2,1H3,(H2,21,24,25);1H
InChIKeyMKYSYQBMUPBXGS-UHFFFAOYSA-N
XLogP3.20
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.20
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-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
2-methyl-1-(naphthalen-1-ylmethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192120
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
2-methyl-1-[(2-methylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191363
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111937918
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
CID 111383121
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111682143
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111590510
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111388472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide (CID 111193893) is 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide is C/N=C(\NCCc1ccccn1)NCCc1cccc2cccnc12.I.
What is the InChIKey of 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The InChIKey is MKYSYQBMUPBXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5.HI/c1-21-20(25-15-11-18-9-2-3-12-22-18)24-14-10-17-7-4-6-16-8-5-13-23-19(16)17;/h2-9,12-13H,10-11,14-15H2,1H3,(H2,21,24,25);1H.
What are the key properties of 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide has a molecular weight of 461.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111193893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).