N-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 393204
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: N1C(C(=O)NCc2cc3c(nc2)cccc3)CC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCc1cnc2c(c1)cccc2
• InChI: InChI=1S/C19H24N4O/c24-18(17-10-19(13-23-17)5-7-20-8-6-19)22-12-14-9-15-3-1-2-4-16(15)21-11-14/h1-4,9,11,17,20,23H,5-8,10,12-13H2,(H,22,24)
• InChIKey: LEYHKZHXMYENMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-(quinolin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-(3-quinolinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.435918
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.655399
• LogD (pH = 7.4): -4.346373
• Log P: 0.80474925
• Molar Refractivity: 93.417 cm^3
• Polarizability: 38.188885 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.34
• LOG S: -3.17
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 3