7,7-dimethyl-N-[(3-methylphenyl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 753288
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: c1(nc2c(C(NCc3cc(ccc3)C)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: Cc1cccc(c1)CNC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C22H30N4O/c1-16-5-4-6-17(11-16)14-23-19-12-22(2,3)13-20-18(19)15-24-21(25-20)26-7-9-27-10-8-26/h4-6,11,15,19,23H,7-10,12-14H2,1-3H3
• InChIKey: YKRFLCIUBKWBPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-N-[(3-methylphenyl)methyl]-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 7,7-dimethyl-N-[(3-methylphenyl)methyl]-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-amine
• Synonyms: 7,7-dimethyl-N-(3-methylbenzyl)-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.88058597
• LogD (pH = 7.4): 2.4240253
• Log P: 3.8640833
• Molar Refractivity: 109.8549 cm^3
• Polarizability: 41.975754 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.29
• LOG S: -4.74
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4