2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide

C13H15N3O3 — CID 112673314

IUPAC2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
SMILESCOc1cccc2ccc(CNOCC(N)=O)nc12
InChIInChI=1S/C13H15N3O3/c1-18-11-4-2-3-9-5-6-10(16-13(9)11)7-15-19-8-12(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyZMRITUJPXQSNRA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.75
Rot. Bonds6

About 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide

2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide (PubChem CID 112673314) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
PubChem CID112673314
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
SMILESCOc1cccc2ccc(CNOCC(N)=O)nc12
InChIInChI=1S/C13H15N3O3/c1-18-11-4-2-3-9-5-6-10(16-13(9)11)7-15-19-8-12(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17)
InChIKeyZMRITUJPXQSNRA-UHFFFAOYSA-N
XLogP0.75
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide (CID 112673314) is 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide is COc1cccc2ccc(CNOCC(N)=O)nc12.
What is the InChIKey of 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide?
The InChIKey is ZMRITUJPXQSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-11-4-2-3-9-5-6-10(16-13(9)11)7-15-19-8-12(14)17/h2-6,15H,7-8H2,1H3,(H2,14,17).
What are the key properties of 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide?
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide has a molecular weight of 261.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112673314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).