7-chloro-3-(2-methoxyethyl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 726855
• Molecular Formular: C11H11ClN2O2
• Molecular Mass: 238.67024
• Monoisotopic Mass: 238.05090528
• SMILES: c1(=O)c2c(ncn1CCOC)cc(cc2)Cl
• Canonical SMILES: COCCn1cnc2c(c1=O)ccc(c2)Cl
• InChI: InChI=1S/C11H11ClN2O2/c1-16-5-4-14-7-13-10-6-8(12)2-3-9(10)11(14)15/h2-3,6-7H,4-5H2,1H3
• InChIKey: UVWBRPRASKOEOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3-(2-methoxyethyl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 7-chloro-3-(2-methoxyethyl)quinazolin-4-one
• Synonyms: 7-chloro-3-(2-methoxyethyl)quinazolin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5052662
• LogD (pH = 7.4): 1.5054842
• Log P: 1.5054871
• Molar Refractivity: 63.6444 cm^3
• Polarizability: 23.12796 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.36
• LOG S: -2.1
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 3