2-(2-methoxyethyl)-8-methyl-1H,2H,7H,8H-pyrido[3,4-c]1,6-naphthyridine-1,7-dione

• ChemBase ID: 225685
• Molecular Formular: C15H15N3O3
• Molecular Mass: 285.2979
• Monoisotopic Mass: 285.11134136
• SMILES: c12c(c3c(=O)n(ccc3nc2)CCOC)ccn(c1=O)C
• Canonical SMILES: COCCn1ccc2c(c1=O)c1ccn(c(=O)c1cn2)C
• InChI: InChI=1S/C15H15N3O3/c1-17-5-3-10-11(14(17)19)9-16-12-4-6-18(7-8-21-2)15(20)13(10)12/h3-6,9H,7-8H2,1-2H3
• InChIKey: INUGJLMVIZRNIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-methyl-1H,2H,7H,8H-pyrido[3,4-c]1,6-naphthyridine-1,7-dione
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-methylpyrido[3,4-c]1,6-naphthyridine-1,7-dione

Database IDs

• PubChem SID: 164281595
• PubChem CID: 66499509

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.09083137
• LogD (pH = 7.4): 0.09156952
• Log P: 0.091578946
• Molar Refractivity: 79.0465 cm^3
• Polarizability: 28.768986 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds