7-methoxy-4-methyl-2-{octahydro-1H-pyrido[1,2-a]piperazin-2-yl}quinazoline

• ChemBase ID: 378985
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CC2N(CC1)CCCC2
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCN2C(C1)CCCC2
• InChI: InChI=1S/C18H24N4O/c1-13-16-7-6-15(23-2)11-17(16)20-18(19-13)22-10-9-21-8-4-3-5-14(21)12-22/h6-7,11,14H,3-5,8-10,12H2,1-2H3
• InChIKey: ZTJXCHNXICVPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-methyl-2-{octahydro-1H-pyrido[1,2-a]piperazin-2-yl}quinazoline
• IUPAC Traditional name: 7-methoxy-4-methyl-2-{octahydropyrido[1,2-a]piperazin-2-yl}quinazoline
• Synonyms: 7-methoxy-4-methyl-2-(octahydro-2H-pyrido[1,2-a]pyrazin-2-yl)quinazoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.4964346
• LogD (pH = 7.4): 2.2706206
• Log P: 2.9428442
• Molar Refractivity: 92.0921 cm^3
• Polarizability: 36.27917 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.06
• LOG S: -3.08
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2