8-chloro-2-(furan-2-yl)-4-(thiomorpholine-4-carbonyl)quinoline

• ChemBase ID: 696112
• Molecular Formular: C18H15ClN2O2S
• Molecular Mass: 358.8419
• Monoisotopic Mass: 358.05427641
• SMILES: c1(C(=O)N2CCSCC2)c2c(nc(c1)c1occc1)c(Cl)ccc2
• Canonical SMILES: O=C(c1cc(nc2c1cccc2Cl)c1ccco1)N1CCSCC1
• InChI: InChI=1S/C18H15ClN2O2S/c19-14-4-1-3-12-13(18(22)21-6-9-24-10-7-21)11-15(20-17(12)14)16-5-2-8-23-16/h1-5,8,11H,6-7,9-10H2
• InChIKey: NIQROAGHGBMBSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(furan-2-yl)-4-(thiomorpholine-4-carbonyl)quinoline
• IUPAC Traditional name: 8-chloro-2-(furan-2-yl)-4-(thiomorpholine-4-carbonyl)quinoline
• Synonyms: 8-chloro-2-(2-furyl)-4-(4-thiomorpholinylcarbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4874184
• LogD (pH = 7.4): 3.4874187
• Log P: 3.4874187
• Molar Refractivity: 96.1711 cm^3
• Polarizability: 39.19361 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -3.73
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 2