7-(7-chloroquinolin-4-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 765262
• Molecular Formular: C17H20ClN3
• Molecular Mass: 301.8138
• Monoisotopic Mass: 301.13457534
• SMILES: N1(c2c3c(cc(cc3)Cl)ncc2)CC2(CNCC2)CCC1
• Canonical SMILES: Clc1ccc2c(c1)nccc2N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C17H20ClN3/c18-13-2-3-14-15(10-13)20-7-4-16(14)21-9-1-5-17(12-21)6-8-19-11-17/h2-4,7,10,19H,1,5-6,8-9,11-12H2
• InChIKey: RDOOGQLSWYEPOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4220967
• LogD (pH = 7.4): -0.2676878
• Log P: 3.0077233
• Molar Refractivity: 86.6996 cm^3
• Polarizability: 34.759815 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.35
• LOG S: -3.25
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1