7-methoxy-2-methyl-1-oxo-1H,2H-benzo[b]1,6-naphthyridine-4-carbaldehyde

• ChemBase ID: 232733
• Molecular Formular: C15H12N2O3
• Molecular Mass: 268.26738
• Monoisotopic Mass: 268.08479225
• SMILES: c12c(c(cn(c1=O)C)C=O)nc1c(c2)ccc(c1)OC
• Canonical SMILES: O=Cc1cn(C)c(=O)c2c1nc1cc(OC)ccc1c2
• InChI: InChI=1S/C15H12N2O3/c1-17-7-10(8-18)14-12(15(17)19)5-9-3-4-11(20-2)6-13(9)16-14/h3-8H,1-2H3
• InChIKey: FPLJVDWWJHLCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2-methyl-1-oxo-1H,2H-benzo[b]1,6-naphthyridine-4-carbaldehyde
• IUPAC Traditional name: 7-methoxy-2-methyl-1-oxobenzo[b]1,6-naphthyridine-4-carbaldehyde
• Synonyms: 7-methoxy-2-methyl-1-oxo-1,2-dihydrobenzo[b]-1,6-naphthyridine-4-carbaldehyde

Database IDs

• MDL Number: MFCD06254451
• PubChem SID: 164288643
• PubChem CID: 5131452

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2660928
• LogD (pH = 7.4): 1.266209
• Log P: 1.2662104
• Molar Refractivity: 73.4188 cm^3
• Polarizability: 28.829172 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%