N-{2,3-dimethyl-5H,6H,7H,8H-furo[2,3-b]quinolin-4-yl}-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 126671
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: O=C1N(CCC1)CC(=O)Nc1c2c(nc3c1CCCC3)oc(c2C)C
• Canonical SMILES: O=C(Nc1c2CCCCc2nc2c1c(C)c(o2)C)CN1CCCC1=O
• InChI: InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)
• InChIKey: PSPGQHXMUKWNDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2,3-dimethyl-5H,6H,7H,8H-furo[2,3-b]quinolin-4-yl}-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: coluracetam
• Synonyms: Coluracetam

Database IDs

• CAS Number: 135463-81-9
• PubChem SID: 162221001
• PubChem CID: 214346
• CHEMBL: 37935
• Chemspider ID: 185836
• Wikipedia Title: Coluracetam

CALCULATED PROPERTIES

• Acid pKa: 12.283934
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9043909
• LogD (pH = 7.4): 1.9044122
• Log P: 1.9044179
• Molar Refractivity: 95.4026 cm^3
• Polarizability: 35.899887 Å^3
• Polar Surface Area: 75.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral