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

• ChemBase ID: 214604
• Molecular Formular: C15H7ClN2O2
• Molecular Mass: 282.68128
• Monoisotopic Mass: 282.01960515
• SMILES: n12c(nc3c(c1=O)cccc3)C(=O)c1c2ccc(c1)Cl
• Canonical SMILES: Clc1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2
• InChI: InChI=1S/C15H7ClN2O2/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: WUCIHZUJKXUKMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270514
• PubChem CID: 478575

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.999707
• LogD (pH = 7.4): 2.999707
• Log P: 2.999707
• Molar Refractivity: 76.423 cm^3
• Polarizability: 27.806046 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds