N-(pyridin-3-yl)quinoline-2-carboximidamide

• ChemBase ID: 119357
• Molecular Formular: C15H12N4
• Molecular Mass: 248.28258
• Monoisotopic Mass: 248.1061964
• SMILES: n1c(C(=N)Nc2cnccc2)ccc2c1cccc2
• Canonical SMILES: N=C(c1ccc2c(n1)cccc2)Nc1cccnc1
• InChI: InChI=1S/C15H12N4/c16-15(18-12-5-3-9-17-10-12)14-8-7-11-4-1-2-6-13(11)19-14/h1-10H,(H2,16,18)
• InChIKey: BTEFTJPQISAGTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-3-yl)quinoline-2-carboximidamide
• IUPAC Traditional name: N-(pyridin-3-yl)quinoline-2-carboximidamide
• Synonyms: N-(pyridin-3-yl)quinoline-2-carboximidamide

Database IDs

• PubChem SID: 162107539
• PubChem CID: 3739447

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2789307
• LogD (pH = 7.4): 2.401836
• Log P: 2.4036248
• Molar Refractivity: 85.4559 cm^3
• Polarizability: 29.38637 Å^3
• Polar Surface Area: 61.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true