N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 694816
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: n1c(nc(c2c1CCCC2)C)CCNC(=O)CCN1OCCCC1
• Canonical SMILES: O=C(CCN1CCCCO1)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C18H28N4O2/c1-14-15-6-2-3-7-16(15)21-17(20-14)8-10-19-18(23)9-12-22-11-4-5-13-24-22/h2-13H2,1H3,(H,19,23)
• InChIKey: DMDVHADXZYKWIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.545891
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3941143
• LogD (pH = 7.4): 1.3952246
• Log P: 1.3952388
• Molar Refractivity: 93.1211 cm^3
• Polarizability: 36.063587 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: 5
• H Donor: 1
• Log P: 1.89
• LOG S: -3.23
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6