6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline

• ChemBase ID: 376527
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: C(=O)(N1CCN(C2Cc3c(CC2)cccc3)CC1)c1cc2nccnc2cc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C23H24N4O/c28-23(19-6-8-21-22(16-19)25-10-9-24-21)27-13-11-26(12-14-27)20-7-5-17-3-1-2-4-18(17)15-20/h1-4,6,8-10,16,20H,5,7,11-15H2
• InChIKey: QMFKDAGAURQDGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline
• Synonyms: 6-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9087026
• LogD (pH = 7.4): 2.5852656
• Log P: 3.001549
• Molar Refractivity: 109.3207 cm^3
• Polarizability: 43.157646 Å^3
• Polar Surface Area: 49.33 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: 2.05
• LOG S: -3.67
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2