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

• ChemBase ID: 514138
• Molecular Formular: C24H28ClN5O
• Molecular Mass: 437.96502
• Monoisotopic Mass: 437.19823822
• SMILES: c1(c(nc2c(c1)ccc(c2)Cl)N1CCCC1)CN(C(=O)CCn1nc(cc1)C)C1CC1
• Canonical SMILES: Clc1ccc2c(c1)nc(c(c2)CN(C(=O)CCn1ccc(n1)C)C1CC1)N1CCCC1
• InChI: InChI=1S/C24H28ClN5O/c1-17-8-12-29(27-17)13-9-23(31)30(21-6-7-21)16-19-14-18-4-5-20(25)15-22(18)26-24(19)28-10-2-3-11-28/h4-5,8,12,14-15,21H,2-3,6-7,9-11,13,16H2,1H3
• InChIKey: WJHWFIGXBILZOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8937728
• LogD (pH = 7.4): 3.9471924
• Log P: 3.9479175
• Molar Refractivity: 134.7855 cm^3
• Polarizability: 48.106186 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.58
• LOG S: -6.58
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 7