8-bromo-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline

• ChemBase ID: 183628
• Molecular Formular: C13H12BrNO
• Molecular Mass: 278.14448
• Monoisotopic Mass: 277.01022601
• SMILES: c12c(c(nc3c1cc(cc3)Br)C)CC(O2)C
• Canonical SMILES: CC1Cc2c(O1)c1cc(Br)ccc1nc2C
• InChI: InChI=1S/C13H12BrNO/c1-7-5-10-8(2)15-12-4-3-9(14)6-11(12)13(10)16-7/h3-4,6-7H,5H2,1-2H3
• InChIKey: HFSXFXXXGXEDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline
• IUPAC Traditional name: 8-bromo-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline
• Synonyms: 8-bromo-2,4-dimethyl-2,3-dihydrofuro[3,2-c]quinoline

Database IDs

• CAS Number: 332898-44-9
• MDL Number: MFCD00455419
• PubChem SID: 164239538
• PubChem CID: 3128929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.806994
• LogD (pH = 7.4): 3.3167758
• Log P: 3.3298156
• Molar Refractivity: 66.3852 cm^3
• Polarizability: 26.78023 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds