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

• ChemBase ID: 325514
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(nc2c(C(NC(=O)CCOc3ccccc3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)CCOc1ccccc1
• InChI: InChI=1S/C19H24N4O2/c1-23(2)19-20-13-15-16(9-6-10-17(15)22-19)21-18(24)11-12-25-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,21,24)
• InChIKey: YOYQVGUUBPLYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0564375
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3906336
• LogD (pH = 7.4): 2.3977144
• Log P: 2.3978055
• Molar Refractivity: 97.4336 cm^3
• Polarizability: 36.92322 Å^3
• Polar Surface Area: 67.35 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: 2.49
• LOG S: -4.65
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 5