7-(7-chloroquinolin-4-yl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 638762
• Molecular Formular: C17H19ClN2O
• Molecular Mass: 302.79856
• Monoisotopic Mass: 302.11859092
• SMILES: N1(c2c3c(cc(cc3)Cl)ncc2)CC2(COCC2)CCC1
• Canonical SMILES: Clc1ccc2c(c1)nccc2N1CCCC2(C1)COCC2
• InChI: InChI=1S/C17H19ClN2O/c18-13-2-3-14-15(10-13)19-7-4-16(14)20-8-1-5-17(11-20)6-9-21-12-17/h2-4,7,10H,1,5-6,8-9,11-12H2
• InChIKey: XLGGRQOCNZLTHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1349494
• LogD (pH = 7.4): 3.1278539
• Log P: 3.3251512
• Molar Refractivity: 85.0187 cm^3
• Polarizability: 33.909325 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.42
• LOG S: -5.1
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1