2-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)quinazolin-4-amine

• ChemBase ID: 325466
• Molecular Formular: C20H23ClN4O
• Molecular Mass: 370.87582
• Monoisotopic Mass: 370.15603906
• SMILES: c1(nc(nc2c1cccc2)CCN)N(Cc1c(Cl)cccc1)CCOC
• Canonical SMILES: COCCN(c1nc(CCN)nc2c1cccc2)Cc1ccccc1Cl
• InChI: InChI=1S/C20H23ClN4O/c1-26-13-12-25(14-15-6-2-4-8-17(15)21)20-16-7-3-5-9-18(16)23-19(24-20)10-11-22/h2-9H,10-14,22H2,1H3
• InChIKey: RKBRCAUPZFXOOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(2-chlorobenzyl)-N-(2-methoxyethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.078416
• LogD (pH = 7.4): 2.2248058
• Log P: 4.2237353
• Molar Refractivity: 106.687 cm^3
• Polarizability: 41.838295 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.58
• LOG S: -3.95
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 8