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

• ChemBase ID: 181714
• Molecular Formular: C17H11ClN2O
• Molecular Mass: 294.73504
• Monoisotopic Mass: 294.05599066
• SMILES: n1(c2c(nc3c(c2)cc(cc3)Cl)c2c1cccc2)C(=O)C
• Canonical SMILES: Clc1ccc2c(c1)cc1c(n2)c2c(n1C(=O)C)cccc2
• InChI: InChI=1S/C17H11ClN2O/c1-10(21)20-15-5-3-2-4-13(15)17-16(20)9-11-8-12(18)6-7-14(11)19-17/h2-9H,1H3
• InChIKey: OCVDVAVDDKBZPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237624
• PubChem CID: 927765

CALCULATED PROPERTIES

• Acid pKa: 19.935183
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5579083
• LogD (pH = 7.4): 3.5582402
• Log P: 3.5582445
• Molar Refractivity: 81.0966 cm^3
• Polarizability: 35.376877 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