N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methoxypropanamide

• ChemBase ID: 519164
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(nc2c(C(NC(=O)CCOC)CCC2)cn1)N(C)C
• Canonical SMILES: COCCC(=O)NC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C14H22N4O2/c1-18(2)14-15-9-10-11(5-4-6-12(10)17-14)16-13(19)7-8-20-3/h9,11H,4-8H2,1-3H3,(H,16,19)
• InChIKey: XLBSDQUNZSYHLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methoxypropanamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methoxypropanamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.085939
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6996084
• LogD (pH = 7.4): 0.70668936
• Log P: 0.70678043
• Molar Refractivity: 77.9249 cm^3
• Polarizability: 29.208076 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.55
• LOG S: -2.95
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3