5H,10H-benzo[b]1,8-naphthyridin-5-one

• ChemBase ID: 188947
• Molecular Formular: C12H8N2O
• Molecular Mass: 196.20472
• Monoisotopic Mass: 196.06366289
• SMILES: c12c(=O)c3c([nH]c1nccc2)cccc3
• Canonical SMILES: O=c1c2ccccc2[nH]c2c1cccn2
• InChI: InChI=1S/C12H8N2O/c15-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-13-12/h1-7H,(H,13,14,15)
• InChIKey: DAFMSUZBESPPSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,10H-benzo[b]1,8-naphthyridin-5-one
• IUPAC Traditional name: 10H-benzo[b]1,8-naphthyridin-5-one

Database IDs

• PubChem SID: 164244857
• PubChem CID: 426352

CALCULATED PROPERTIES

• Acid pKa: 13.295747
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.558175
• LogD (pH = 7.4): 3.5758333
• Log P: 3.5760639
• Molar Refractivity: 57.2183 cm^3
• Polarizability: 21.486721 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds