2,4,7,9-tetramethylbenzo[b]1,8-naphthyridin-5-amine

• ChemBase ID: 57441
• Molecular Formular: C16H17N3
• Molecular Mass: 251.32628
• Monoisotopic Mass: 251.14224756
• SMILES: c1c(nc2c(c1C)c(c1c(n2)c(cc(c1)C)C)N)C
• Canonical SMILES: Cc1cc(C)c2c(n1)nc1c(c2N)cc(cc1C)C
• InChI: InChI=1S/C16H17N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7H,1-4H3,(H2,17,18,19)
• InChIKey: ZNPSDSMZKLWRLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,7,9-tetramethylbenzo[b]1,8-naphthyridin-5-amine
• IUPAC Traditional name: 2,4,7,9-tetramethylbenzo[b]1,8-naphthyridin-5-amine
• Synonyms: 2,4,7,9-Tetramethylbenzo[b]-1,8-naphthyridin-5-amine

Database IDs

• CAS Number: 309726-06-5
• MDL Number: MFCD01871983
• PubChem SID: 162062204
• PubChem CID: 765471

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.375479
• LogD (pH = 7.4): 3.4551466
• Log P: 3.456268
• Molar Refractivity: 79.8889 cm^3
• Polarizability: 31.168055 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false