dimethyl[(6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazin-2-yl)methyl]amine

• ChemBase ID: 523719
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: c12c(Oc3nc(CN(C)C)cnc3)ccc(c1cccn2)CN1CCOCC1
• Canonical SMILES: CN(Cc1cncc(n1)Oc1ccc(c2c1nccc2)CN1CCOCC1)C
• InChI: InChI=1S/C21H25N5O2/c1-25(2)15-17-12-22-13-20(24-17)28-19-6-5-16(14-26-8-10-27-11-9-26)18-4-3-7-23-21(18)19/h3-7,12-13H,8-11,14-15H2,1-2H3
• InChIKey: VXNGQXBBJNXUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazin-2-yl)methyl]amine
• IUPAC Traditional name: dimethyl[(6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazin-2-yl)methyl]amine
• Synonyms: N,N-dimethyl-1-(6-{[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxy}pyrazin-2-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.0995208
• LogD (pH = 7.4): 1.3401061
• Log P: 1.5360653
• Molar Refractivity: 107.8575 cm^3
• Polarizability: 43.240086 Å^3
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.24
• LOG S: -1.16
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 6