8-bromo-2-(1-bromo-1-chloroethyl)-4-methyl-2H,3H-furo[3,2-c]quinoline

• ChemBase ID: 182160
• Molecular Formular: C14H12Br2ClNO
• Molecular Mass: 405.51218
• Monoisotopic Mass: 402.89741569
• SMILES: c12c(c(nc3c2cc(cc3)Br)C)CC(O1)C(Cl)(Br)C
• Canonical SMILES: Brc1ccc2c(c1)c1OC(Cc1c(n2)C)C(Br)(Cl)C
• InChI: InChI=1S/C14H12Br2ClNO/c1-7-9-6-12(14(2,16)17)19-13(9)10-5-8(15)3-4-11(10)18-7/h3-5,12H,6H2,1-2H3
• InChIKey: CVHUBQBRMHLQCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-(1-bromo-1-chloroethyl)-4-methyl-2H,3H-furo[3,2-c]quinoline
• IUPAC Traditional name: 8-bromo-2-(1-bromo-1-chloroethyl)-4-methyl-2H,3H-furo[3,2-c]quinoline

Database IDs

• PubChem SID: 164238070
• PubChem CID: 2869241

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9974344
• LogD (pH = 7.4): 4.4872103
• Log P: 4.4993467
• Molar Refractivity: 83.8724 cm^3
• Polarizability: 33.348232 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds