N-cyclopentyl-N'-(quinolin-3-ylmethyl)butanediamide

• ChemBase ID: 670943
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: n1c2c(cc(c1)CNC(=O)CCC(=O)NC1CCCC1)cccc2
• Canonical SMILES: O=C(NCc1cnc2c(c1)cccc2)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C19H23N3O2/c23-18(9-10-19(24)22-16-6-2-3-7-16)21-13-14-11-15-5-1-4-8-17(15)20-12-14/h1,4-5,8,11-12,16H,2-3,6-7,9-10,13H2,(H,21,23)(H,22,24)
• InChIKey: FONXVNOBGYJOQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-(quinolin-3-ylmethyl)butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-(quinolin-3-ylmethyl)succinamide
• Synonyms: N-cyclopentyl-N'-(quinolin-3-ylmethyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.322895
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6524134
• LogD (pH = 7.4): 1.6715634
• Log P: 1.6718136
• Molar Refractivity: 91.9219 cm^3
• Polarizability: 37.04696 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.83
• LOG S: -3.13
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6