N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 690675
• Molecular Formular: C18H19N5O
• Molecular Mass: 321.37636
• Monoisotopic Mass: 321.15896025
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCN1c2c(CCC1)cccc2
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NCCN1CCCc2c1cccc2
• InChI: InChI=1S/C18H19N5O/c24-17(15-13-23-11-4-8-20-18(23)21-15)19-9-12-22-10-3-6-14-5-1-2-7-16(14)22/h1-2,4-5,7-8,11,13H,3,6,9-10,12H2,(H,19,24)
• InChIKey: URLJJNHYDFDNNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.436868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6148871
• LogD (pH = 7.4): 1.6610618
• Log P: 1.6616834
• Molar Refractivity: 94.8209 cm^3
• Polarizability: 34.387165 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.94
• LOG S: -3.2
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4