N-{3,3-dimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-yl}formamide

• ChemBase ID: 181142
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c12c3c(ncc1[nH]c1c2cccc1)CC(CC3NC=O)(C)C
• Canonical SMILES: O=CNC1CC(C)(C)Cc2c1c1c(cn2)[nH]c2c1cccc2
• InChI: InChI=1S/C18H19N3O/c1-18(2)7-13-17(14(8-18)20-10-22)16-11-5-3-4-6-12(11)21-15(16)9-19-13/h3-6,9-10,14,21H,7-8H2,1-2H3,(H,20,22)
• InChIKey: IHKRBZVNQFHALW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3,3-dimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-yl}formamide
• IUPAC Traditional name: N-{3,3-dimethyl-1H,2H,4H,7H-indolo[2,3-c]quinolin-1-yl}formamide

Database IDs

• PubChem SID: 164237052
• PubChem CID: 6281031

CALCULATED PROPERTIES

• Acid pKa: 13.304709
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.055617
• LogD (pH = 7.4): 2.2163742
• Log P: 2.2189047
• Molar Refractivity: 85.5237 cm^3
• Polarizability: 35.505653 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds