6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

• ChemBase ID: 534932
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c12cc(c3cc(CN4CCOCC4)ccc3)ccc2ncnc1N
• Canonical SMILES: Nc1ncnc2c1cc(cc2)c1cccc(c1)CN1CCOCC1
• InChI: InChI=1S/C19H20N4O/c20-19-17-11-16(4-5-18(17)21-13-22-19)15-3-1-2-14(10-15)12-23-6-8-24-9-7-23/h1-5,10-11,13H,6-9,12H2,(H2,20,21,22)
• InChIKey: IZQYICRILZCNKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
• IUPAC Traditional name: 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
• Synonyms: 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.81521094
• LogD (pH = 7.4): 2.364037
• Log P: 2.5607157
• Molar Refractivity: 96.5678 cm^3
• Polarizability: 38.913895 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -1.93
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3