diethyl({4-[(2-methylquinazolin-4-yl)amino]pentyl})amine

• ChemBase ID: 181726
• Molecular Formular: C18H28N4
• Molecular Mass: 300.44172
• Monoisotopic Mass: 300.23139692
• SMILES: c1(nc(nc2c1cccc2)C)NC(CCCN(CC)CC)C
• Canonical SMILES: CCN(CCCC(Nc1nc(C)nc2c1cccc2)C)CC
• InChI: InChI=1S/C18H28N4/c1-5-22(6-2)13-9-10-14(3)19-18-16-11-7-8-12-17(16)20-15(4)21-18/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3,(H,19,20,21)
• InChIKey: UYSILKUEMQOYJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({4-[(2-methylquinazolin-4-yl)amino]pentyl})amine
• IUPAC Traditional name: diethyl({4-[(2-methylquinazolin-4-yl)amino]pentyl})amine

Database IDs

• PubChem SID: 164237636
• PubChem CID: 2868891

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.32704395
• LogD (pH = 7.4): 0.9250226
• Log P: 3.7852228
• Molar Refractivity: 95.3773 cm^3
• Polarizability: 37.118313 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds