2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide

C15H19N3O3 — CID 104562386

IUPAC2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCOCCOC)nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-19-6-7-20-8-9-21-14-10-12(15(16)17)11-4-2-3-5-13(11)18-14/h2-5,10H,6-9H2,1H3,(H3,16,17)
InChIKeyCRCBPYZURVDNDC-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.56
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide

2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide (PubChem CID 104562386) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
PubChem CID104562386
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCOCCOC)nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-19-6-7-20-8-9-21-14-10-12(15(16)17)11-4-2-3-5-13(11)18-14/h2-5,10H,6-9H2,1H3,(H3,16,17)
InChIKeyCRCBPYZURVDNDC-UHFFFAOYSA-N
XLogP1.56
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
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-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-propoxyquinoline-4-carboximidamide
CID 63885122
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-2-carboximidamide
CID 104562293
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide (CID 104562386) is 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(OCCOCCOC)nc2ccccc12.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide?
The InChIKey is CRCBPYZURVDNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-6-7-20-8-9-21-14-10-12(15(16)17)11-4-2-3-5-13(11)18-14/h2-5,10H,6-9H2,1H3,(H3,16,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide?
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide has a molecular weight of 289.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide is sourced from PubChem (CID 104562386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).