8-chloro-2-(furan-2-yl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]quinoline

• ChemBase ID: 552915
• Molecular Formular: C20H19ClN2O3
• Molecular Mass: 370.82946
• Monoisotopic Mass: 370.10842016
• SMILES: c1(C(=O)N2CC(CC2)COC)c2c(nc(c1)c1occc1)c(Cl)ccc2
• Canonical SMILES: COCC1CCN(C1)C(=O)c1cc(nc2c1cccc2Cl)c1ccco1
• InChI: InChI=1S/C20H19ClN2O3/c1-25-12-13-7-8-23(11-13)20(24)15-10-17(18-6-3-9-26-18)22-19-14(15)4-2-5-16(19)21/h2-6,9-10,13H,7-8,11-12H2,1H3
• InChIKey: BWVLVALMEIMSMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(furan-2-yl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]quinoline
• IUPAC Traditional name: 8-chloro-2-(furan-2-yl)-4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]quinoline
• Synonyms: 8-chloro-2-(2-furyl)-4-{[3-(methoxymethyl)-1-pyrrolidinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• Log P: 3.1450348
• Molar Refractivity: 99.4047 cm^3
• Polarizability: 40.504295 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1450346
• LogD (pH = 7.4): 3.1450348

供应商提供(Chembridge)

• Log P: 1.77
• LOG S: -3.42
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0