N-[(7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 786583
• Molecular Formular: C19H23FN4O2
• Molecular Mass: 358.4099232
• Monoisotopic Mass: 358.18050422
• SMILES: c1(c(=O)[nH]c2c(c1)ccc(c2)F)CNC(=O)C1NCC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)NCc1cc2ccc(cc2[nH]c1=O)F
• InChI: InChI=1S/C19H23FN4O2/c20-14-2-1-12-7-13(17(25)24-15(12)8-14)10-22-18(26)16-9-19(11-23-16)3-5-21-6-4-19/h1-2,7-8,16,21,23H,3-6,9-11H2,(H,22,26)(H,24,25)
• InChIKey: ILDXGCRGBDFQFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[(7-fluoro-2-oxo-1,2-dihydro-3-quinolinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.081265
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -6.144905
• LogD (pH = 7.4): -4.854847
• Log P: 0.29582217
• Molar Refractivity: 98.2492 cm^3
• Polarizability: 37.051105 Å^3
• Polar Surface Area: 82.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: 0.52
• LOG S: -2.26
• Polar Surface Area: 86.02 Å^2
• Rotatable Bonds: 3