2-(2-aminoethyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}quinazolin-4-amine

• ChemBase ID: 636867
• Molecular Formular: C19H19N7O
• Molecular Mass: 361.40046
• Monoisotopic Mass: 361.16510826
• SMILES: c1(nc(on1)CCNc1nc(nc2c1cccc2)CCN)c1ncccc1
• Canonical SMILES: NCCc1nc(NCCc2onc(n2)c2ccccn2)c2c(n1)cccc2
• InChI: InChI=1S/C19H19N7O/c20-10-8-16-23-14-6-2-1-5-13(14)18(24-16)22-12-9-17-25-19(26-27-17)15-7-3-4-11-21-15/h1-7,11H,8-10,12,20H2,(H,22,23,24)
• InChIKey: MLOLAJWFNRVZTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.32639435
• LogD (pH = 7.4): 0.82387424
• Log P: 2.8240569
• Molar Refractivity: 114.1286 cm^3
• Polarizability: 40.016266 Å^3
• Polar Surface Area: 115.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 1.3
• LOG S: -1.94
• Polar Surface Area: 115.64 Å^2
• Rotatable Bonds: 7