6-[2-(diethylamino)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 722125
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: c1(=O)c2c(ccn1CCN(CC)CC)nccc2
• Canonical SMILES: CCN(CCn1ccc2c(c1=O)cccn2)CC
• InChI: InChI=1S/C14H19N3O/c1-3-16(4-2)10-11-17-9-7-13-12(14(17)18)6-5-8-15-13/h5-9H,3-4,10-11H2,1-2H3
• InChIKey: ZGULUCZOBMYKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(diethylamino)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[2-(diethylamino)ethyl]-1,6-naphthyridin-5-one
• Synonyms: 6-[2-(diethylamino)ethyl]-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8378696
• LogD (pH = 7.4): -0.18621263
• Log P: 1.2961549
• Molar Refractivity: 73.2448 cm^3
• Polarizability: 27.626028 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.69
• LOG S: -2.43
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5