2-bromo-6H,12H-indolo[2,1-b]quinazoline-6,12-dione

• ChemBase ID: 215768
• Molecular Formular: C15H7BrN2O2
• Molecular Mass: 327.13228
• Monoisotopic Mass: 325.96908947
• SMILES: n12c(nc3c(c1=O)cccc3)C(=O)c1c2ccc(c1)Br
• Canonical SMILES: Brc1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2
• InChI: InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
• InChIKey: INPHXCCBDRGBRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6H,12H-indolo[2,1-b]quinazoline-6,12-dione
• IUPAC Traditional name: 2-bromoindolo[2,1-b]quinazoline-6,12-dione

Database IDs

• PubChem SID: 164271678
• PubChem CID: 478572

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1644151
• LogD (pH = 7.4): 3.1644151
• Log P: 3.1644151
• Molar Refractivity: 79.241 cm^3
• Polarizability: 28.735586 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds