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

• ChemBase ID: 683729
• Molecular Formular: C20H19ClN2O3
• Molecular Mass: 370.82946
• Monoisotopic Mass: 370.10842016
• SMILES: C(=O)(c1c2c(nc(c1)c1occc1)c(Cl)ccc2)N1[C@@H](COC)CCC1
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1cc(nc2c1cccc2Cl)c1ccco1
• InChI: InChI=1S/C20H19ClN2O3/c1-25-12-13-5-3-9-23(13)20(24)15-11-17(18-8-4-10-26-18)22-19-14(15)6-2-7-16(19)21/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3/t13-/m1/s1
• InChIKey: FZJBPSGIKLBLSQ-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5448487
• LogD (pH = 7.4): 3.544849
• Log P: 3.544849
• Molar Refractivity: 99.0657 cm^3
• Polarizability: 40.504276 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.94
• LOG S: -3.56
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4