1-{10H-indolo[3,2-b]quinolin-10-yl}ethan-1-one

• ChemBase ID: 185097
• Molecular Formular: C17H12N2O
• Molecular Mass: 260.28998
• Monoisotopic Mass: 260.09496301
• SMILES: n1(c2c(c3c1cccc3)nc1c(c2)cccc1)C(=O)C
• Canonical SMILES: CC(=O)n1c2ccccc2c2c1cc1ccccc1n2
• InChI: InChI=1S/C17H12N2O/c1-11(20)19-15-9-5-3-7-13(15)17-16(19)10-12-6-2-4-8-14(12)18-17/h2-10H,1H3
• InChIKey: IYGDQWWAZFBUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{10H-indolo[3,2-b]quinolin-10-yl}ethan-1-one
• IUPAC Traditional name: 1-{indolo[3,2-b]quinolin-10-yl}ethanone

Database IDs

• PubChem SID: 164241007
• PubChem CID: 928867

CALCULATED PROPERTIES

• Acid pKa: 19.933935
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9512675
• LogD (pH = 7.4): 2.9541628
• Log P: 2.9541998
• Molar Refractivity: 76.2918 cm^3
• Polarizability: 33.645523 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds