7-amino-4-{3-[3-(dimethylamino)propoxy]phenyl}-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

• ChemBase ID: 378523
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c12NC(=O)CC(c2ccc(n1)N)c1cc(OCCCN(C)C)ccc1
• Canonical SMILES: CN(CCCOc1cccc(c1)C1CC(=O)Nc2c1ccc(n2)N)C
• InChI: InChI=1S/C19H24N4O2/c1-23(2)9-4-10-25-14-6-3-5-13(11-14)16-12-18(24)22-19-15(16)7-8-17(20)21-19/h3,5-8,11,16H,4,9-10,12H2,1-2H3,(H3,20,21,22,24)
• InChIKey: MWSLZNNYNXOSAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-{3-[3-(dimethylamino)propoxy]phenyl}-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one
• IUPAC Traditional name: 7-amino-4-{3-[3-(dimethylamino)propoxy]phenyl}-3,4-dihydro-1H-1,8-naphthyridin-2-one
• Synonyms: 7-amino-4-{3-[3-(dimethylamino)propoxy]phenyl}-3,4-dihydro-1,8-naphthyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.935304
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.6542649
• LogD (pH = 7.4): 0.14103216
• Log P: 2.0006917
• Molar Refractivity: 101.3477 cm^3
• Polarizability: 37.563942 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.97
• LOG S: -3.37
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 6