1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine

C19H29N5O2 — CID 111405947

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESC/N=C(\NCCCOCCOC)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H29N5O2/c1-20-19(22-10-5-13-26-15-14-25-2)23-12-11-21-18-9-8-16-6-3-4-7-17(16)24-18/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyVKSVOSVGWGJTPH-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.86
Rot. Bonds11

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine (PubChem CID 111405947) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
PubChem CID111405947
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESC/N=C(\NCCCOCCOC)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H29N5O2/c1-20-19(22-10-5-13-26-15-14-25-2)23-12-11-21-18-9-8-16-6-3-4-7-17(16)24-18/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyVKSVOSVGWGJTPH-UHFFFAOYSA-N
XLogP1.86
TPSA79.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111644544
2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111647999
2-methyl-1-[2-(quinolin-2-ylamino)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471631
2-[3-(quinolin-2-ylamino)propoxy]ethanol
CID 103990474
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111193168
1-(furan-2-ylmethyl)-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 110934395
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111406560
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111355461
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111523855
2-methyl-1-(2-methylcyclopropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111961988
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine (CID 111405947) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine is C/N=C(\NCCCOCCOC)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
The InChIKey is VKSVOSVGWGJTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-20-19(22-10-5-13-26-15-14-25-2)23-12-11-21-18-9-8-16-6-3-4-7-17(16)24-18/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,24)(H2,20,22,23).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine has a molecular weight of 359.47 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 111405947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).