N'-(2-methoxyethyl)quinoline-2-carboximidamide

C13H15N3O — CID 63222826

IUPACN'-(2-methoxyethyl)quinoline-2-carboximidamide
SMILESCOCC/N=C(\N)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-17-9-8-15-13(14)12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8-9H2,1H3,(H2,14,15)
InChIKeyQIUAYYRTUZZVSF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.59
Rot. Bonds4

About N'-(2-methoxyethyl)quinoline-2-carboximidamide

N'-(2-methoxyethyl)quinoline-2-carboximidamide (PubChem CID 63222826) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N'-(2-methoxyethyl)quinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)quinoline-2-carboximidamide
PubChem CID63222826
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN'-(2-methoxyethyl)quinoline-2-carboximidamide
SMILESCOCC/N=C(\N)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O/c1-17-9-8-15-13(14)12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8-9H2,1H3,(H2,14,15)
InChIKeyQIUAYYRTUZZVSF-UHFFFAOYSA-N
XLogP1.59
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
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

N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
2-(2-methoxyethyl)quinoline
CID 129321824
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
N'-(2-methoxyethyl)pyridine-3-carboximidamide
CID 63181303
quinoline-2-carboxamide;hydrobromide
CID 141009871
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
quinoline-2-carboximidamide;dihydrochloride
CID 42614305
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
2-amino-1-quinolin-2-ylethanone
CID 23532024

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)quinoline-2-carboximidamide?
The IUPAC name of N'-(2-methoxyethyl)quinoline-2-carboximidamide (CID 63222826) is N'-(2-methoxyethyl)quinoline-2-carboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)quinoline-2-carboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)quinoline-2-carboximidamide is COCC/N=C(\N)c1ccc2ccccc2n1.
What is the InChIKey of N'-(2-methoxyethyl)quinoline-2-carboximidamide?
The InChIKey is QIUAYYRTUZZVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-9-8-15-13(14)12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8-9H2,1H3,(H2,14,15).
What are the key properties of N'-(2-methoxyethyl)quinoline-2-carboximidamide?
N'-(2-methoxyethyl)quinoline-2-carboximidamide has a molecular weight of 229.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)quinoline-2-carboximidamide is sourced from PubChem (CID 63222826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).