6-methyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-one

• ChemBase ID: 181436
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c12c(c3c(nc2C)CCCC3=O)c2c([nH]1)cccc2
• Canonical SMILES: O=C1CCCc2c1c1c(c(n2)C)[nH]c2c1cccc2
• InChI: InChI=1S/C16H14N2O/c1-9-16-14(10-5-2-3-6-11(10)18-16)15-12(17-9)7-4-8-13(15)19/h2-3,5-6,18H,4,7-8H2,1H3
• InChIKey: VDDICDFJPCYTQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-one
• IUPAC Traditional name: 6-methyl-2H,3H,4H,7H-indolo[2,3-c]quinolin-1-one

Database IDs

• PubChem SID: 164237346
• PubChem CID: 5402088

CALCULATED PROPERTIES

• Acid pKa: 12.7519655
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.168037
• LogD (pH = 7.4): 2.1861405
• Log P: 2.1863782
• Molar Refractivity: 73.7517 cm^3
• Polarizability: 30.699223 Å^3
• Polar Surface Area: 45.75 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds