4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 368522
• Molecular Formular: C18H21N3O
• Molecular Mass: 295.37884
• Monoisotopic Mass: 295.16846231
• SMILES: c1(nc(nc2c1CCCC2)N(C)C)c1c2OCCc2ccc1
• Canonical SMILES: CN(c1nc2CCCCc2c(n1)c1cccc2c1OCC2)C
• InChI: InChI=1S/C18H21N3O/c1-21(2)18-19-15-9-4-3-7-13(15)16(20-18)14-8-5-6-12-10-11-22-17(12)14/h5-6,8H,3-4,7,9-11H2,1-2H3
• InChIKey: FVXMOHKHDYGJGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0722923
• LogD (pH = 7.4): 4.0779557
• Log P: 4.078028
• Molar Refractivity: 88.6923 cm^3
• Polarizability: 34.36422 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.33
• LOG S: -5.05
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 2