6,7-dimethoxy-N-[3-(propan-2-yloxy)propyl]quinazolin-4-amine

• ChemBase ID: 223892
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: c12c(cc(c(c1)OC)OC)ncnc2NCCCOC(C)C
• Canonical SMILES: COc1cc2c(NCCCOC(C)C)ncnc2cc1OC
• InChI: InChI=1S/C16H23N3O3/c1-11(2)22-7-5-6-17-16-12-8-14(20-3)15(21-4)9-13(12)18-10-19-16/h8-11H,5-7H2,1-4H3,(H,17,18,19)
• InChIKey: IXYCVUPVPYNVQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-N-[3-(propan-2-yloxy)propyl]quinazolin-4-amine
• IUPAC Traditional name: N-(3-isopropoxypropyl)-6,7-dimethoxyquinazolin-4-amine

Database IDs

• PubChem SID: 164279802
• PubChem CID: 7574849

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.661208
• LogD (pH = 7.4): 1.9577857
• Log P: 1.9633229
• Molar Refractivity: 87.3105 cm^3
• Polarizability: 33.955982 Å^3
• Polar Surface Area: 65.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds