7-(2-methoxyethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 756717
• Molecular Formular: C21H29N3O
• Molecular Mass: 339.47446
• Monoisotopic Mass: 339.23106256
• SMILES: c1(c2ncccc2ccc1)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1cccc2c1nccc2
• InChI: InChI=1S/C21H29N3O/c1-25-14-13-23-11-4-8-21(16-23)9-12-24(17-21)15-19-6-2-5-18-7-3-10-22-20(18)19/h2-3,5-7,10H,4,8-9,11-17H2,1H3
• InChIKey: SIWUTPCICILCTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(quinolin-8-ylmethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 8-{[7-(2-methoxyethyl)-2,7-diazaspiro[4.5]dec-2-yl]methyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8940094
• LogD (pH = 7.4): -0.29489484
• Log P: 2.5731041
• Molar Refractivity: 102.3471 cm^3
• Polarizability: 41.39428 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -1.31
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 4