N-(8-aminoquinolin-5-yl)-2-propylpentanamide

C17H23N3O — CID 104826496

IUPACN-(8-aminoquinolin-5-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C17H23N3O/c1-3-6-12(7-4-2)17(21)20-15-10-9-14(18)16-13(15)8-5-11-19-16/h5,8-12H,3-4,6-7,18H2,1-2H3,(H,20,21)
InChIKeyVFUFRKJVLRDHSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds6

About N-(8-aminoquinolin-5-yl)-2-propylpentanamide

N-(8-aminoquinolin-5-yl)-2-propylpentanamide (PubChem CID 104826496) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-2-propylpentanamide
PubChem CID104826496
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(8-aminoquinolin-5-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C17H23N3O/c1-3-6-12(7-4-2)17(21)20-15-10-9-14(18)16-13(15)8-5-11-19-16/h5,8-12H,3-4,6-7,18H2,1-2H3,(H,20,21)
InChIKeyVFUFRKJVLRDHSJ-UHFFFAOYSA-N
XLogP3.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
5-N-(propylsulfamoyl)quinoline-5,8-diamine
CID 114804992
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
2-(8-aminoquinolin-5-yl)oxy-N-propylpropanamide
CID 116524725
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-2-propylpentanamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-2-propylpentanamide (CID 104826496) is N-(8-aminoquinolin-5-yl)-2-propylpentanamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-2-propylpentanamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-2-propylpentanamide?
The InChIKey is VFUFRKJVLRDHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-6-12(7-4-2)17(21)20-15-10-9-14(18)16-13(15)8-5-11-19-16/h5,8-12H,3-4,6-7,18H2,1-2H3,(H,20,21).
What are the key properties of N-(8-aminoquinolin-5-yl)-2-propylpentanamide?
N-(8-aminoquinolin-5-yl)-2-propylpentanamide has a molecular weight of 285.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-2-propylpentanamide is sourced from PubChem (CID 104826496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).