13-methyl-7,16-dihydro-5,6a,12,15-tetraazapentaphene-7,16-dione

• ChemBase ID: 186735
• Molecular Formular: C19H12N4O2
• Molecular Mass: 328.32418
• Monoisotopic Mass: 328.09602564
• SMILES: n12c3n(c(=O)c4c(n3)cccc4)cc(c1nc1c(c2=O)cccc1)C
• Canonical SMILES: Cc1cn2c(=O)c3ccccc3nc2n2c1nc1ccccc1c2=O
• InChI: InChI=1S/C19H12N4O2/c1-11-10-22-17(24)12-6-2-5-9-15(12)21-19(22)23-16(11)20-14-8-4-3-7-13(14)18(23)25/h2-10H,1H3
• InChIKey: FNNLUWYUFVEPNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 13-methyl-7,16-dihydro-5,6a,12,15-tetraazapentaphene-7,16-dione
• IUPAC Traditional name: 13-methyl-5,6a,12,15-tetraazapentaphene-7,16-dione

Database IDs

• PubChem SID: 164242645
• PubChem CID: 779309

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1476686
• LogD (pH = 7.4): 3.1477165
• Log P: 3.1477172
• Molar Refractivity: 96.1744 cm^3
• Polarizability: 33.787895 Å^3
• Polar Surface Area: 65.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds