6-[3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]quinoxaline

• ChemBase ID: 541992
• Molecular Formular: C25H21N3O2
• Molecular Mass: 395.45314
• Monoisotopic Mass: 395.16337693
• SMILES: N1(C(=O)c2cc3nccnc3cc2)CC(C(=O)c2c3c(ccc2)cccc3)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCCC(C1)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C25H21N3O2/c29-24(21-9-3-6-17-5-1-2-8-20(17)21)19-7-4-14-28(16-19)25(30)18-10-11-22-23(15-18)27-13-12-26-22/h1-3,5-6,8-13,15,19H,4,7,14,16H2
• InChIKey: UOIKKCGVZPDDKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 6-[3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]quinoxaline
• Synonyms: 1-naphthyl[1-(6-quinoxalinylcarbonyl)-3-piperidinyl]methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.176609
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5697873
• LogD (pH = 7.4): 3.5698044
• Log P: 3.5698047
• Molar Refractivity: 114.8174 cm^3
• Polarizability: 46.42442 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.57
• LOG S: -4.74
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 3