7-(cyclopropylmethyl)-2-(2,3-dimethylquinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 582715
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: N1(C(=O)c2cc3nc(c(nc3cc2)C)C)CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C(c1ccc2c(c1)nc(c(n2)C)C)N1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C23H30N4O/c1-16-17(2)25-21-12-19(6-7-20(21)24-16)22(28)27-11-9-23(15-27)8-3-10-26(14-23)13-18-4-5-18/h6-7,12,18H,3-5,8-11,13-15H2,1-2H3
• InChIKey: CBPAACAGJIOGLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(2,3-dimethylquinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(2,3-dimethylquinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 6-{[7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2,3-dimethylquinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2109914
• LogD (pH = 7.4): 0.028414506
• Log P: 2.1881707
• Molar Refractivity: 110.2288 cm^3
• Polarizability: 43.86962 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.97
• LOG S: -4.82
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3