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

C15H19N3O — CID 82547447

IUPAC2-(8-aminoquinolin-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C15H19N3O/c1-2-3-9-17-14(19)10-12-8-7-11-5-4-6-13(16)15(11)18-12/h4-8H,2-3,9-10,16H2,1H3,(H,17,19)
InChIKeyRNJAMESUQGHIJM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds5

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

2-(8-aminoquinolin-2-yl)-N-butylacetamide (PubChem CID 82547447) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-butylacetamide
PubChem CID82547447
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(8-aminoquinolin-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1ccc2cccc(N)c2n1
InChIInChI=1S/C15H19N3O/c1-2-3-9-17-14(19)10-12-8-7-11-5-4-6-13(16)15(11)18-12/h4-8H,2-3,9-10,16H2,1H3,(H,17,19)
InChIKeyRNJAMESUQGHIJM-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-aminoquinolin-2-yl)-N-butylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-butylacetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-butylacetamide (CID 82547447) is 2-(8-aminoquinolin-2-yl)-N-butylacetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-butylacetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-butylacetamide is CCCCNC(=O)Cc1ccc2cccc(N)c2n1.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-butylacetamide?
The InChIKey is RNJAMESUQGHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-9-17-14(19)10-12-8-7-11-5-4-6-13(16)15(11)18-12/h4-8H,2-3,9-10,16H2,1H3,(H,17,19).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-butylacetamide?
2-(8-aminoquinolin-2-yl)-N-butylacetamide has a molecular weight of 257.34 g/mol, XLogP of 2.28, 5 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-butylacetamide is sourced from PubChem (CID 82547447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).