N-{[7-chloro-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide

• ChemBase ID: 633814
• Molecular Formular: C26H28ClN5O2
• Molecular Mass: 477.98582
• Monoisotopic Mass: 477.19315284
• SMILES: c1(c(CN(C(=O)CCn2nc(cc2)C)Cc2occc2)cc2c(n1)cc(cc2)Cl)N1CCCC1
• Canonical SMILES: Clc1ccc2c(c1)nc(c(c2)CN(C(=O)CCn1ccc(n1)C)Cc1ccco1)N1CCCC1
• InChI: InChI=1S/C26H28ClN5O2/c1-19-8-12-32(29-19)13-9-25(33)31(18-23-5-4-14-34-23)17-21-15-20-6-7-22(27)16-24(20)28-26(21)30-10-2-3-11-30/h4-8,12,14-16H,2-3,9-11,13,17-18H2,1H3
• InChIKey: GFRMBHYTBQAWHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-chloro-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-{[7-chloro-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
• Synonyms: N-{[7-chloro-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.21293
• LogD (pH = 7.4): 4.266348
• Log P: 4.2670727
• Molar Refractivity: 144.5778 cm^3
• Polarizability: 51.608593 Å^3
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.97
• LOG S: -6.79
• Polar Surface Area: 67.4 Å^2
• Rotatable Bonds: 8