7-amino-4-(3-hydroxy-4-methoxyphenyl)-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one

• ChemBase ID: 784313
• Molecular Formular: C15H15N3O3
• Molecular Mass: 285.2979
• Monoisotopic Mass: 285.11134136
• SMILES: c12NC(=O)CC(c2ccc(n1)N)c1cc(c(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1O)C1CC(=O)Nc2c1ccc(n2)N
• InChI: InChI=1S/C15H15N3O3/c1-21-12-4-2-8(6-11(12)19)10-7-14(20)18-15-9(10)3-5-13(16)17-15/h2-6,10,19H,7H2,1H3,(H3,16,17,18,20)
• InChIKey: OIHBFGCAZKUKQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-(3-hydroxy-4-methoxyphenyl)-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one
• IUPAC Traditional name: 7-amino-4-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
• Synonyms: 7-amino-4-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1,8-naphthyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.871654
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.2731314
• LogD (pH = 7.4): 1.6103759
• Log P: 1.618522
• Molar Refractivity: 80.4441 cm^3
• Polarizability: 29.299715 Å^3
• Polar Surface Area: 97.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.1
• LOG S: -2.22
• Polar Surface Area: 97.47 Å^2
• Rotatable Bonds: 2