2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide

C18H25IN4O — CID 119150998

IUPAC2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1ccc2ccccc2n1)NCC1CCOC1.I
InChIInChI=1S/C18H24N4O.HI/c1-19-18(21-12-14-9-11-23-13-14)20-10-8-16-7-6-15-4-2-3-5-17(15)22-16;/h2-7,14H,8-13H2,1H3,(H2,19,20,21);1H
InChIKeyGXERLHGUABNDGM-UHFFFAOYSA-N
MW440.33 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide

2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide (PubChem CID 119150998) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide
PubChem CID119150998
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1ccc2ccccc2n1)NCC1CCOC1.I
InChIInChI=1S/C18H24N4O.HI/c1-19-18(21-12-14-9-11-23-13-14)20-10-8-16-7-6-15-4-2-3-5-17(15)22-16;/h2-7,14H,8-13H2,1H3,(H2,19,20,21);1H
InChIKeyGXERLHGUABNDGM-UHFFFAOYSA-N
XLogP2.60
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 52.60
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

2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111647999
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111644544
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119149259
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111193168
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150936
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111355461
1-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150958
N'-methyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946459
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 111197454
2-methyl-1-(oxolan-3-ylmethyl)-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 119150928
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 119150985
2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111646193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide (CID 119150998) is 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide is C/N=C(/NCCc1ccc2ccccc2n1)NCC1CCOC1.I.
What is the InChIKey of 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is GXERLHGUABNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-19-18(21-12-14-9-11-23-13-14)20-10-8-16-7-6-15-4-2-3-5-17(15)22-16;/h2-7,14H,8-13H2,1H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide?
2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-ylmethyl)-3-(2-quinolin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119150998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).