8-(8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 539197
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: C1(C(=O)N2CCC3(CN(C(=O)C3)C)CC2)c2c(NC(=O)C1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1NC(=O)CC2C(=O)N1CCC2(CC1)CC(=O)N(C2)C
• InChI: InChI=1S/C20H25N3O4/c1-22-12-20(11-17(22)25)6-8-23(9-7-20)19(26)14-10-16(24)21-18-13(14)4-3-5-15(18)27-2/h3-5,14H,6-12H2,1-2H3,(H,21,24)
• InChIKey: LDSITGWDMMVEJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-methoxy-4-[(2-methyl-3-oxo-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]-3,4-dihydro-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.209497
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.33792397
• LogD (pH = 7.4): -0.3379301
• Log P: -0.3379237
• Molar Refractivity: 101.0657 cm^3
• Polarizability: 38.254726 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.3
• LOG S: -3.47
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2