2-[(2R)-4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl]propane-1,2-diol

• ChemBase ID: 185960
• Molecular Formular: C15H17NO4
• Molecular Mass: 275.29978
• Monoisotopic Mass: 275.11575803
• SMILES: c12c(nc3c(c1OC)cccc3)O[C@H](C2)C(O)(CO)C
• Canonical SMILES: COc1c2C[C@@H](Oc2nc2c1cccc2)C(CO)(O)C
• InChI: InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15?/m1/s1
• InChIKey: NETGEQWGGLFVRL-KEKZHRQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl]propane-1,2-diol
• IUPAC Traditional name: 2-[(2R)-4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl]propane-1,2-diol

Database IDs

• PubChem SID: 164241870
• PubChem CID: 16396425

CALCULATED PROPERTIES

• Acid pKa: 13.235051
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4551188
• LogD (pH = 7.4): 1.4696219
• Log P: 1.4698107
• Molar Refractivity: 73.092 cm^3
• Polarizability: 29.774225 Å^3
• Polar Surface Area: 71.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Racemic
• Classification: Rare Genuine Natural Compounds