N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide

C16H15N3O2 — CID 104826392

IUPACN-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccco2)c2cccnc12
InChIInChI=1S/C16H15N3O2/c17-13-6-7-14(12-4-1-9-18-16(12)13)19-15(20)8-5-11-3-2-10-21-11/h1-4,6-7,9-10H,5,8,17H2,(H,19,20)
InChIKeyABGGPOUTGGLGPD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.98
Rot. Bonds4

About N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide

N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide (PubChem CID 104826392) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
PubChem CID104826392
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccco2)c2cccnc12
InChIInChI=1S/C16H15N3O2/c17-13-6-7-14(12-4-1-9-18-16(12)13)19-15(20)8-5-11-3-2-10-21-11/h1-4,6-7,9-10H,5,8,17H2,(H,19,20)
InChIKeyABGGPOUTGGLGPD-UHFFFAOYSA-N
XLogP2.98
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide (CID 104826392) is N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide is Nc1ccc(NC(=O)CCc2ccco2)c2cccnc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide?
The InChIKey is ABGGPOUTGGLGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-13-6-7-14(12-4-1-9-18-16(12)13)19-15(20)8-5-11-3-2-10-21-11/h1-4,6-7,9-10H,5,8,17H2,(H,19,20).
What are the key properties of N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide?
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 104826392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).