N-{[7-chloro-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}-N-cyclopropylpropanamide

• ChemBase ID: 421004
• Molecular Formular: C20H24ClN3O
• Molecular Mass: 357.87706
• Monoisotopic Mass: 357.16079008
• SMILES: c1(c(nc2c(c1)ccc(c2)Cl)N1CCCC1)CN(C1CC1)C(=O)CC
• Canonical SMILES: CCC(=O)N(C1CC1)Cc1cc2ccc(cc2nc1N1CCCC1)Cl
• InChI: InChI=1S/C20H24ClN3O/c1-2-19(25)24(17-7-8-17)13-15-11-14-5-6-16(21)12-18(14)22-20(15)23-9-3-4-10-23/h5-6,11-12,17H,2-4,7-10,13H2,1H3
• InChIKey: FXANPGCOKOSPBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1245656
• LogD (pH = 7.4): 4.176924
• Log P: 4.1776357
• Molar Refractivity: 101.7192 cm^3
• Polarizability: 39.944397 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.25
• LOG S: -4.61
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4