(2R)-2-(1,2-dihydroxypropan-2-yl)-9-methyl-2H,3H,4H,9H-furo[2,3-b]quinolin-4-one

• ChemBase ID: 209693
• Molecular Formular: C15H17NO4
• Molecular Mass: 275.29978
• Monoisotopic Mass: 275.11575803
• SMILES: c12c(c(=O)c3c(n1C)cccc3)C[C@@H](O2)C(O)(CO)C
• Canonical SMILES: OCC([C@H]1Cc2c(O1)n(C)c1c(c2=O)cccc1)(O)C
• InChI: InChI=1S/C15H17NO4/c1-15(19,8-17)12-7-10-13(18)9-5-3-4-6-11(9)16(2)14(10)20-12/h3-6,12,17,19H,7-8H2,1-2H3/t12-,15?/m1/s1
• InChIKey: FKPYMOUOELMBKI-KEKZHRQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(1,2-dihydroxypropan-2-yl)-9-methyl-2H,3H,4H,9H-furo[2,3-b]quinolin-4-one
• IUPAC Traditional name: (2R)-2-(1,2-dihydroxypropan-2-yl)-9-methyl-2H,3H-furo[2,3-b]quinolin-4-one

Database IDs

• PubChem SID: 164265603
• PubChem CID: 16402904

CALCULATED PROPERTIES

• Acid pKa: 13.235883
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.9765957
• LogD (pH = 7.4): 0.97659504
• Log P: 0.9765957
• Molar Refractivity: 84.4719 cm^3
• Polarizability: 28.346966 Å^3
• Polar Surface Area: 70.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds