{5-[(7-chloro-2-methylquinazolin-4-yl)amino]hexyl}diethylamine

• ChemBase ID: 181952
• Molecular Formular: C19H29ClN4
• Molecular Mass: 348.91336
• Monoisotopic Mass: 348.20807463
• SMILES: c1(nc(nc2c1ccc(c2)Cl)C)NC(CCCCN(CC)CC)C
• Canonical SMILES: CCN(CCCCC(Nc1nc(C)nc2c1ccc(c2)Cl)C)CC
• InChI: InChI=1S/C19H29ClN4/c1-5-24(6-2)12-8-7-9-14(3)21-19-17-11-10-16(20)13-18(17)22-15(4)23-19/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22,23)
• InChIKey: YMVURRIQICYWDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[(7-chloro-2-methylquinazolin-4-yl)amino]hexyl}diethylamine
• IUPAC Traditional name: {5-[(7-chloro-2-methylquinazolin-4-yl)amino]hexyl}diethylamine

Database IDs

• PubChem SID: 164237862
• PubChem CID: 45490401

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0090193
• LogD (pH = 7.4): 1.917106
• Log P: 4.76965
• Molar Refractivity: 104.7831 cm^3
• Polarizability: 40.779385 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds