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

• ChemBase ID: 220499
• Molecular Formular: C16H10N2O2
• Molecular Mass: 262.2628
• Monoisotopic Mass: 262.07422757
• SMILES: n12c(nc3c(c1=O)cccc3)C(=O)c1c2ccc(c1)C
• Canonical SMILES: Cc1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2
• InChI: InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
• InChIKey: DSZRZFCUYHAAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276409
• PubChem CID: 478577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9090838
• LogD (pH = 7.4): 2.9090838
• Log P: 2.9090838
• Molar Refractivity: 76.6594 cm^3
• Polarizability: 27.674948 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