2-quinolin-1-ium-1-ylacetamide iodide

C11H11IN2O — CID 11957261

IUPAC2-quinolin-1-ium-1-ylacetamide iodide
SMILESNC(=O)C[n+]1cccc2ccccc21.[I-]
InChIInChI=1S/C11H10N2O.HI/c12-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13;/h1-7H,8H2,(H-,12,14);1H
InChIKeyGXAPYXWZRZVURH-UHFFFAOYSA-N
MW314.13 g/mol
LogP-2.38
Rot. Bonds2

About 2-quinolin-1-ium-1-ylacetamide iodide

2-quinolin-1-ium-1-ylacetamide iodide (PubChem CID 11957261) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 2-quinolin-1-ium-1-ylacetamide iodide.

Molecular Properties

Compound Name2-quinolin-1-ium-1-ylacetamide iodide
PubChem CID11957261
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name2-quinolin-1-ium-1-ylacetamide iodide
SMILESNC(=O)C[n+]1cccc2ccccc21.[I-]
InChIInChI=1S/C11H10N2O.HI/c12-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13;/h1-7H,8H2,(H-,12,14);1H
InChIKeyGXAPYXWZRZVURH-UHFFFAOYSA-N
XLogP-2.38
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-1-ium-1-ylacetamide iodide?
The IUPAC name of 2-quinolin-1-ium-1-ylacetamide iodide (CID 11957261) is 2-quinolin-1-ium-1-ylacetamide iodide.
What is the SMILES notation for 2-quinolin-1-ium-1-ylacetamide iodide?
The canonical SMILES for 2-quinolin-1-ium-1-ylacetamide iodide is NC(=O)C[n+]1cccc2ccccc21.[I-].
What is the InChIKey of 2-quinolin-1-ium-1-ylacetamide iodide?
The InChIKey is GXAPYXWZRZVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.HI/c12-11(14)8-13-7-3-5-9-4-1-2-6-10(9)13;/h1-7H,8H2,(H-,12,14);1H.
What are the key properties of 2-quinolin-1-ium-1-ylacetamide iodide?
2-quinolin-1-ium-1-ylacetamide iodide has a molecular weight of 314.13 g/mol, XLogP of -2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-1-ium-1-ylacetamide iodide is sourced from PubChem (CID 11957261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).