N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide

• ChemBase ID: 691091
• Molecular Formular: C18H26N6O
• Molecular Mass: 342.43864
• Monoisotopic Mass: 342.21680948
• SMILES: c1(nc2c(C(NC(=O)CCn3c(ncc3)CC)CCC2)cn1)N(C)C
• Canonical SMILES: CCc1nccn1CCC(=O)NC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C18H26N6O/c1-4-16-19-9-11-24(16)10-8-17(25)21-14-6-5-7-15-13(14)12-20-18(22-15)23(2)3/h9,11-12,14H,4-8,10H2,1-3H3,(H,21,25)
• InChIKey: SNMQGTNIVCMAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-ethylimidazol-1-yl)propanamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.117578
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4831563
• LogD (pH = 7.4): 1.2872521
• Log P: 1.4842834
• Molar Refractivity: 97.8895 cm^3
• Polarizability: 36.674007 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.91
• LOG S: -3.33
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6