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

• ChemBase ID: 232734
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: c12c(c(cn(c1=O)C)C=O)nc1c(c2)cccc1
• Canonical SMILES: O=Cc1cn(C)c(=O)c2c1nc1ccccc1c2
• InChI: InChI=1S/C14H10N2O2/c1-16-7-10(8-17)13-11(14(16)18)6-9-4-2-3-5-12(9)15-13/h2-8H,1H3
• InChIKey: CNSVXCBJOOVDSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 88752-82-3
• MDL Number: MFCD06254449
• PubChem SID: 164288644
• PubChem CID: 3298742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.42383
• LogD (pH = 7.4): 1.423881
• Log P: 1.4238818
• Molar Refractivity: 66.9556 cm^3
• Polarizability: 26.317917 Å^3
• Polar Surface Area: 50.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%