2-(8-aminoquinolin-2-yl)-N-ethylacetamide

C13H15N3O — CID 82547485

IUPAC2-(8-aminoquinolin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C13H15N3O/c1-2-15-12(17)8-10-7-6-9-4-3-5-11(14)13(9)16-10/h3-7H,2,8,14H2,1H3,(H,15,17)
InChIKeyOWPZFNJPFNOKHW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.50
Rot. Bonds3

About 2-(8-aminoquinolin-2-yl)-N-ethylacetamide

2-(8-aminoquinolin-2-yl)-N-ethylacetamide (PubChem CID 82547485) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-ethylacetamide
PubChem CID82547485
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(8-aminoquinolin-2-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C13H15N3O/c1-2-15-12(17)8-10-7-6-9-4-3-5-11(14)13(9)16-10/h3-7H,2,8,14H2,1H3,(H,15,17)
InChIKeyOWPZFNJPFNOKHW-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-ethylacetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-ethylacetamide (CID 82547485) is 2-(8-aminoquinolin-2-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-ethylacetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-ethylacetamide is CCNC(=O)Cc1ccc2cccc(N)c2n1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-ethylacetamide?
The InChIKey is OWPZFNJPFNOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-15-12(17)8-10-7-6-9-4-3-5-11(14)13(9)16-10/h3-7H,2,8,14H2,1H3,(H,15,17).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-ethylacetamide?
2-(8-aminoquinolin-2-yl)-N-ethylacetamide has a molecular weight of 229.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-ethylacetamide is sourced from PubChem (CID 82547485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).