2-(2-propoxyethoxy)quinoline-4-carboximidamide

C15H19N3O2 — CID 63883975

IUPAC2-(2-propoxyethoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCOCCC)nc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-7-19-8-9-20-14-10-12(15(16)17)11-5-3-4-6-13(11)18-14/h3-6,10H,2,7-9H2,1H3,(H3,16,17)
InChIKeyNBFLRMCCEDKHLM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-propoxyethoxy)quinoline-4-carboximidamide

2-(2-propoxyethoxy)quinoline-4-carboximidamide (PubChem CID 63883975) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(2-propoxyethoxy)quinoline-4-carboximidamide
PubChem CID63883975
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-propoxyethoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OCCOCCC)nc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-7-19-8-9-20-14-10-12(15(16)17)11-5-3-4-6-13(11)18-14/h3-6,10H,2,7-9H2,1H3,(H3,16,17)
InChIKeyNBFLRMCCEDKHLM-UHFFFAOYSA-N
XLogP2.32
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propoxyquinoline-4-carboximidamide
CID 63885122
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
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
2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684381
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)quinoline-4-carboximidamide?
The IUPAC name of 2-(2-propoxyethoxy)quinoline-4-carboximidamide (CID 63883975) is 2-(2-propoxyethoxy)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(2-propoxyethoxy)quinoline-4-carboximidamide?
The canonical SMILES for 2-(2-propoxyethoxy)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(OCCOCCC)nc2ccccc12.
What is the InChIKey of 2-(2-propoxyethoxy)quinoline-4-carboximidamide?
The InChIKey is NBFLRMCCEDKHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-7-19-8-9-20-14-10-12(15(16)17)11-5-3-4-6-13(11)18-14/h3-6,10H,2,7-9H2,1H3,(H3,16,17).
What are the key properties of 2-(2-propoxyethoxy)quinoline-4-carboximidamide?
2-(2-propoxyethoxy)quinoline-4-carboximidamide has a molecular weight of 273.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)quinoline-4-carboximidamide is sourced from PubChem (CID 63883975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).