N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)propanamide

• ChemBase ID: 577254
• Molecular Formular: C17H24N6O2
• Molecular Mass: 344.41146
• Monoisotopic Mass: 344.19607404
• SMILES: c1(nc2c(C(NC(=O)CCC3=NNC(=O)CC3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)CCC1=NNC(=O)CC1
• InChI: InChI=1S/C17H24N6O2/c1-23(2)17-18-10-12-13(4-3-5-14(12)20-17)19-15(24)8-6-11-7-9-16(25)22-21-11/h10,13H,3-9H2,1-2H3,(H,19,24)(H,22,25)
• InChIKey: OWQJSYRWXPZRJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)propanamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-3-(6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.884308
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.26260284
• LogD (pH = 7.4): 0.26969415
• Log P: 0.26979813
• Molar Refractivity: 94.3891 cm^3
• Polarizability: 35.27365 Å^3
• Polar Surface Area: 99.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.4
• LOG S: -4.4
• Polar Surface Area: 99.58 Å^2
• Rotatable Bonds: 4