7-methoxy-4-methyl-2-{4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl}quinazoline

• ChemBase ID: 539585
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CCN(Cc2ncccc2C)CC1
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCN(CC1)Cc1ncccc1C
• InChI: InChI=1S/C21H25N5O/c1-15-5-4-8-22-20(15)14-25-9-11-26(12-10-25)21-23-16(2)18-7-6-17(27-3)13-19(18)24-21/h4-8,13H,9-12,14H2,1-3H3
• InChIKey: RSZVSGRYYSELNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-methyl-2-{4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl}quinazoline
• IUPAC Traditional name: 7-methoxy-4-methyl-2-{4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl}quinazoline
• Synonyms: 7-methoxy-4-methyl-2-{4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl}quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.0121598
• LogD (pH = 7.4): 3.0738506
• Log P: 3.134405
• Molar Refractivity: 107.2546 cm^3
• Polarizability: 41.945652 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.38
• LOG S: -1.57
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 4