1-ethyl-3-methyl-8-{[1-(propan-2-yl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 840852
• Molecular Formular: C23H34N4O2
• Molecular Mass: 398.54166
• Monoisotopic Mass: 398.26817635
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(N(C(C)C)CCC2)cc1)CC)C
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)CCCN2C(C)C)C
• InChI: InChI=1S/C23H34N4O2/c1-5-27-22(29)24(4)21(28)23(27)10-13-25(14-11-23)16-18-8-9-20-19(15-18)7-6-12-26(20)17(2)3/h8-9,15,17H,5-7,10-14,16H2,1-4H3
• InChIKey: PWPYYIXVJCYGNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-8-{[1-(propan-2-yl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-ethyl-8-[(1-isopropyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-ethyl-8-[(1-isopropyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.47737637
• LogD (pH = 7.4): 1.2304862
• Log P: 2.69925
• Molar Refractivity: 117.1982 cm^3
• Polarizability: 44.449547 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -4.01
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 2