N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide

C13H13N3O — CID 104826399

IUPACN-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
SMILESNc1ccc(NC(=O)C2CC2)c2cccnc12
InChIInChI=1S/C13H13N3O/c14-10-5-6-11(16-13(17)8-3-4-8)9-2-1-7-15-12(9)10/h1-2,5-8H,3-4,14H2,(H,16,17)
InChIKeyRXNKSDRDFIUXMO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.17
Rot. Bonds2

About N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide

N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide (PubChem CID 104826399) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
PubChem CID104826399
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
SMILESNc1ccc(NC(=O)C2CC2)c2cccnc12
InChIInChI=1S/C13H13N3O/c14-10-5-6-11(16-13(17)8-3-4-8)9-2-1-7-15-12(9)10/h1-2,5-8H,3-4,14H2,(H,16,17)
InChIKeyRXNKSDRDFIUXMO-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.17
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

N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-1,2-oxazole-3-carboxamide
CID 104826426
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide (CID 104826399) is N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide is Nc1ccc(NC(=O)C2CC2)c2cccnc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide?
The InChIKey is RXNKSDRDFIUXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-10-5-6-11(16-13(17)8-3-4-8)9-2-1-7-15-12(9)10/h1-2,5-8H,3-4,14H2,(H,16,17).
What are the key properties of N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide?
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.17, 2 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)cyclopropanecarboxamide is sourced from PubChem (CID 104826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).