6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 560880
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(=O)c2c(ccn1CCC(=O)N1CCCC1)nccc2
• Canonical SMILES: O=C(N1CCCC1)CCn1ccc2c(c1=O)cccn2
• InChI: InChI=1S/C15H17N3O2/c19-14(17-8-1-2-9-17)6-11-18-10-5-13-12(15(18)20)4-3-7-16-13/h3-5,7,10H,1-2,6,8-9,11H2
• InChIKey: MDSGEQAXBTVIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,6-naphthyridin-5-one
• Synonyms: 6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.32209757
• LogD (pH = 7.4): 0.3250596
• Log P: 0.3250975
• Molar Refractivity: 75.6691 cm^3
• Polarizability: 28.43501 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.73
• LOG S: -1.8
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 3