2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

• ChemBase ID: 721557
• Molecular Formular: C18H22N4OS
• Molecular Mass: 342.45848
• Monoisotopic Mass: 342.15143234
• SMILES: c1(nc(nc2c1cccc2)CCN)N(Cc1sccc1)CCOC
• Canonical SMILES: COCCN(c1nc(CCN)nc2c1cccc2)Cc1cccs1
• InChI: InChI=1S/C18H22N4OS/c1-23-11-10-22(13-14-5-4-12-24-14)18-15-6-2-3-7-16(15)20-17(21-18)8-9-19/h2-7,12H,8-11,13,19H2,1H3
• InChIKey: ZGNBGMNQEBINSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.425479
• LogD (pH = 7.4): 1.5717529
• Log P: 3.5706449
• Molar Refractivity: 98.7721 cm^3
• Polarizability: 38.620205 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: 2.51
• LOG S: -2.84
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 8