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

• ChemBase ID: 232732
• Molecular Formular: C15H12N2O3
• Molecular Mass: 268.26738
• Monoisotopic Mass: 268.08479225
• SMILES: c12c(c(cn(c1=O)C)C=O)nc1c(c2)cc(cc1)OC
• Canonical SMILES: COc1ccc2c(c1)cc1c(n2)c(C=O)cn(c1=O)C
• InChI: InChI=1S/C15H12N2O3/c1-17-7-10(8-18)14-12(15(17)19)6-9-5-11(20-2)3-4-13(9)16-14/h3-8H,1-2H3
• InChIKey: FLRUDYCWVAOHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methyl-1-oxo-1H,2H-benzo[b]1,6-naphthyridine-4-carbaldehyde
• IUPAC Traditional name: 8-methoxy-2-methyl-1-oxobenzo[b]1,6-naphthyridine-4-carbaldehyde
• Synonyms: 8-methoxy-2-methyl-1-oxo-1,2-dihydrobenzo[b]-1,6-naphthyridine-4-carbaldehyde

Database IDs

• CAS Number: 88752-83-4
• MDL Number: MFCD06254737
• PubChem SID: 164288642
• PubChem CID: 3483187

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2661473
• LogD (pH = 7.4): 1.2662097
• Log P: 1.2662104
• Molar Refractivity: 73.4188 cm^3
• Polarizability: 28.829548 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%