N-[7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-5-methoxyfuran-2-carboxamide

• ChemBase ID: 538745
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c1(nc2c(C(NC(=O)c3oc(cc3)OC)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: COc1ccc(o1)C(=O)NC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C20H26N4O4/c1-20(2)10-14(22-18(25)16-4-5-17(26-3)28-16)13-12-21-19(23-15(13)11-20)24-6-8-27-9-7-24/h4-5,12,14H,6-11H2,1-3H3,(H,22,25)
• InChIKey: OTOACXWVYXLVJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-5-methoxyfuran-2-carboxamide
• IUPAC Traditional name: N-[7,7-dimethyl-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-yl]-5-methoxyfuran-2-carboxamide
• Synonyms: N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]-5-methoxy-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.048815
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8537459
• LogD (pH = 7.4): 1.8584356
• Log P: 1.8584958
• Molar Refractivity: 103.6482 cm^3
• Polarizability: 39.136715 Å^3
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.33
• LOG S: -5.21
• Polar Surface Area: 89.72 Å^2
• Rotatable Bonds: 3