2-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione

• ChemBase ID: 223696
• Molecular Formular: C20H18N4O3
• Molecular Mass: 362.38192
• Monoisotopic Mass: 362.13789046
• SMILES: c12c(=O)n(ccc1nc1c(c(=O)n(cc1)CCOC)c2)Cc1cnccc1
• Canonical SMILES: COCCn1ccc2c(c1=O)cc1c(n2)ccn(c1=O)Cc1cccnc1
• InChI: InChI=1S/C20H18N4O3/c1-27-10-9-23-7-4-17-15(19(23)25)11-16-18(22-17)5-8-24(20(16)26)13-14-3-2-6-21-12-14/h2-8,11-12H,9-10,13H2,1H3
• InChIKey: CACJZOOLEMBFJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)-1H,2H,8H,9H-pyrido[4,3-b]1,6-naphthyridine-1,9-dione
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-(pyridin-3-ylmethyl)pyrido[4,3-b]1,6-naphthyridine-1,9-dione

Database IDs

• PubChem SID: 164279606
• PubChem CID: 43865073

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7600774
• LogD (pH = 7.4): 0.83103615
• Log P: 0.8320407
• Molar Refractivity: 101.0551 cm^3
• Polarizability: 37.443863 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds