(8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-7H,8H-furo[2,3-b]quinolin-7-one

• ChemBase ID: 206224
• Molecular Formular: C18H19NO4
• Molecular Mass: 313.34776
• Monoisotopic Mass: 313.13140809
• SMILES: c12c(c(c3c(n1)occ3)OC)C=CC(=O)[C@]2(CC=C(C)C)OC
• Canonical SMILES: CO[C@@]1(CC=C(C)C)C(=O)C=Cc2c1nc1occc1c2OC
• InChI: InChI=1S/C18H19NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h5-8,10H,9H2,1-4H3/t18-/m0/s1
• InChIKey: AOCCRKXUBBAOQI-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-7H,8H-furo[2,3-b]quinolin-7-one
• IUPAC Traditional name: (8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)furo[2,3-b]quinolin-7-one

Database IDs

• PubChem SID: 164262134
• PubChem CID: 805120

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5177307
• LogD (pH = 7.4): 3.5177312
• Log P: 3.5177312
• Molar Refractivity: 87.9302 cm^3
• Polarizability: 33.70486 Å^3
• Polar Surface Area: 61.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds