5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline

• ChemBase ID: 605191
• Molecular Formular: C23H24N4O
• Molecular Mass: 372.46286
• Monoisotopic Mass: 372.19501141
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)c2nccnc2ccc1
• Canonical SMILES: O=C(c1cccc2c1nccn2)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C23H24N4O/c28-23(20-6-3-7-21-22(20)25-11-10-24-21)27-14-12-26(13-15-27)19-9-8-17-4-1-2-5-18(17)16-19/h1-7,10-11,19H,8-9,12-16H2
• InChIKey: SOSNVCMMOWLPMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]quinoxaline
• Synonyms: 5-{[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): 0.785518
• LogD (pH = 7.4): 2.500762
• Log P: 3.001549
• Molar Refractivity: 109.3207 cm^3
• Polarizability: 43.162186 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: 1.24
• LOG S: -2.98
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2