7-(6-chloro-2-methylquinoline-4-carbonyl)-2-methyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 712091
• Molecular Formular: C20H24ClN3O
• Molecular Mass: 357.87706
• Monoisotopic Mass: 357.16079008
• SMILES: C(=O)(c1c2c(nc(c1)C)ccc(c2)Cl)N1CC2(CN(CC2)C)CCC1
• Canonical SMILES: CN1CCC2(C1)CCCN(C2)C(=O)c1cc(C)nc2c1cc(Cl)cc2
• InChI: InChI=1S/C20H24ClN3O/c1-14-10-17(16-11-15(21)4-5-18(16)22-14)19(25)24-8-3-6-20(13-24)7-9-23(2)12-20/h4-5,10-11H,3,6-9,12-13H2,1-2H3
• InChIKey: HEMGRBHUVZOCSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(6-chloro-2-methylquinoline-4-carbonyl)-2-methyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(6-chloro-2-methylquinoline-4-carbonyl)-2-methyl-2,7-diazaspiro[4.5]decane
• Synonyms: 6-chloro-2-methyl-4-[(2-methyl-2,7-diazaspiro[4.5]dec-7-yl)carbonyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.47531244
• LogD (pH = 7.4): 1.1310885
• Log P: 2.71209
• Molar Refractivity: 101.029 cm^3
• Polarizability: 40.04875 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -4.0
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 1