2-(2,3-dihydro-1H-isoindole-2-carbonyl)-8-fluoroquinoline

• ChemBase ID: 410243
• Molecular Formular: C18H13FN2O
• Molecular Mass: 292.3070232
• Monoisotopic Mass: 292.10119127
• SMILES: N1(C(=O)c2nc3c(F)cccc3cc2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(c1ccc2c(n1)c(F)ccc2)N1Cc2c(C1)cccc2
• InChI: InChI=1S/C18H13FN2O/c19-15-7-3-6-12-8-9-16(20-17(12)15)18(22)21-10-13-4-1-2-5-14(13)11-21/h1-9H,10-11H2
• InChIKey: RYZFQHCPCDXZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-isoindole-2-carbonyl)-8-fluoroquinoline
• IUPAC Traditional name: 2-(1,3-dihydroisoindole-2-carbonyl)-8-fluoroquinoline
• Synonyms: 2-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)-8-fluoroquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4331455
• LogD (pH = 7.4): 3.4331455
• Log P: 3.4331455
• Molar Refractivity: 81.8627 cm^3
• Polarizability: 31.977446 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.21
• LOG S: -3.22
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1