N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide

C18H29I2N3O2 — CID 131880882

IUPACN-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide
SMILESCCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12.I.I
InChIInChI=1S/C18H27N3O2.2HI/c1-5-21(6-2)11-7-10-19-16-13-15(22-3)12-14-8-9-17(23-4)20-18(14)16;;/h8-9,12-13,19H,5-7,10-11H2,1-4H3;2*1H
InChIKeyUYLYUFNADYFMMR-UHFFFAOYSA-N
MW573.26 g/mol
LogP4.63
Rot. Bonds9

About N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide

N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide (PubChem CID 131880882) has the molecular formula C18H29I2N3O2 and a molecular weight of 573.26 g/mol. Its IUPAC name is N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide.

Molecular Properties

Compound NameN-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide
PubChem CID131880882
Molecular FormulaC18H29I2N3O2
Molecular Weight573.26 g/mol
Exact Mass573.03
IUPAC NameN-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide
SMILESCCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12.I.I
InChIInChI=1S/C18H27N3O2.2HI/c1-5-21(6-2)11-7-10-19-16-13-15(22-3)12-14-8-9-17(23-4)20-18(14)16;;/h8-9,12-13,19H,5-7,10-11H2,1-4H3;2*1H
InChIKeyUYLYUFNADYFMMR-UHFFFAOYSA-N
XLogP4.63
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide?
The IUPAC name of N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide (CID 131880882) is N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide.
What is the SMILES notation for N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide?
The canonical SMILES for N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide is CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12.I.I.
What is the InChIKey of N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide?
The InChIKey is UYLYUFNADYFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2HI/c1-5-21(6-2)11-7-10-19-16-13-15(22-3)12-14-8-9-17(23-4)20-18(14)16;;/h8-9,12-13,19H,5-7,10-11H2,1-4H3;2*1H.
What are the key properties of N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide?
N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide has a molecular weight of 573.26 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine;dihydroiodide is sourced from PubChem (CID 131880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).