N-(3,4-difluorophenyl)-1-(quinoxaline-6-carbonyl)piperidin-3-amine

• ChemBase ID: 768668
• Molecular Formular: C20H18F2N4O
• Molecular Mass: 368.3799264
• Monoisotopic Mass: 368.14486766
• SMILES: N1(C(=O)c2cc3nccnc3cc2)CC(Nc2cc(c(cc2)F)F)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCCC(C1)Nc1ccc(c(c1)F)F
• InChI: InChI=1S/C20H18F2N4O/c21-16-5-4-14(11-17(16)22)25-15-2-1-9-26(12-15)20(27)13-3-6-18-19(10-13)24-8-7-23-18/h3-8,10-11,15,25H,1-2,9,12H2
• InChIKey: ZQYGZUFZGSYPRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-difluorophenyl)-1-(quinoxaline-6-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-difluorophenyl)-1-(quinoxaline-6-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-difluorophenyl)-1-(6-quinoxalinylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6098716
• LogD (pH = 7.4): 2.6223764
• Log P: 2.622538
• Molar Refractivity: 98.249 cm^3
• Polarizability: 37.430542 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.07
• LOG S: -5.28
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3