1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

C17H24N4O — CID 110976485

IUPAC1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NCCCOC)NCCc1cccc2cccnc12
InChIInChI=1S/C17H24N4O/c1-18-17(20-11-5-13-22-2)21-12-9-15-7-3-6-14-8-4-10-19-16(14)15/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H2,18,20,21)
InChIKeyCSWQPQFGZGZYIQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.98
Rot. Bonds7

About 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 110976485) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID110976485
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NCCCOC)NCCc1cccc2cccnc12
InChIInChI=1S/C17H24N4O/c1-18-17(20-11-5-13-22-2)21-12-9-15-7-3-6-14-8-4-10-19-16(14)15/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H2,18,20,21)
InChIKeyCSWQPQFGZGZYIQ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
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-quinolin-8-ylethyl)guanidine
CID 111388472
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111401842
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
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974087
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111937918
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (CID 110976485) is 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is C/N=C(\NCCCOC)NCCc1cccc2cccnc12.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is CSWQPQFGZGZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-18-17(20-11-5-13-22-2)21-12-9-15-7-3-6-14-8-4-10-19-16(14)15/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 300.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 110976485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).