1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine

C15H20N4O — CID 111123466

IUPAC1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
SMILESC/N=C(\NC)NCCCOc1cccc2cccnc12
InChIInChI=1S/C15H20N4O/c1-16-15(17-2)19-10-5-11-20-13-8-3-6-12-7-4-9-18-14(12)13/h3-4,6-9H,5,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyHVXMOSQCTZRSKG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds5

About 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine

1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine (PubChem CID 111123466) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
PubChem CID111123466
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine
SMILESC/N=C(\NC)NCCCOc1cccc2cccnc12
InChIInChI=1S/C15H20N4O/c1-16-15(17-2)19-10-5-11-20-13-8-3-6-12-7-4-9-18-14(12)13/h3-4,6-9H,5,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyHVXMOSQCTZRSKG-UHFFFAOYSA-N
XLogP1.80
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
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-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine;hydroiodide
CID 111123465
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-quinolin-8-yloxyethylhydrazine
CID 82126133
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine
CID 111110189
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
1,2-dimethyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 110914105
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111401842

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine (CID 111123466) is 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine is C/N=C(\NC)NCCCOc1cccc2cccnc12.
What is the InChIKey of 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine?
The InChIKey is HVXMOSQCTZRSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15(17-2)19-10-5-11-20-13-8-3-6-12-7-4-9-18-14(12)13/h3-4,6-9H,5,10-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine?
1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine has a molecular weight of 272.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3-quinolin-8-yloxypropyl)guanidine is sourced from PubChem (CID 111123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).