2-hydroxy-N'-[(1E)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]benzohydrazide

• ChemBase ID: 182501
• Molecular Formular: C25H24N4O2
• Molecular Mass: 412.48366
• Monoisotopic Mass: 412.18992603
• SMILES: c12c(c3/C(=N/NC(=O)c4c(O)cccc4)/CC(Cc3nc2C)(C)C)c2c([nH]1)cccc2
• Canonical SMILES: O=C(c1ccccc1O)N/N=C/1\CC(C)(C)Cc2c1c1c(c(n2)C)[nH]c2c1cccc2
• InChI: InChI=1S/C25H24N4O2/c1-14-23-21(15-8-4-6-10-17(15)27-23)22-18(26-14)12-25(2,3)13-19(22)28-29-24(31)16-9-5-7-11-20(16)30/h4-11,27,30H,12-13H2,1-3H3,(H,29,31)/b28-19+
• InChIKey: LTGIUERQVGYBKH-TURZUDJPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N'-[(1E)-3,3,6-trimethyl-1H,2H,3H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]benzohydrazide
• IUPAC Traditional name: 2-hydroxy-N'-[(1E)-3,3,6-trimethyl-2H,4H,7H-indolo[2,3-c]quinolin-1-ylidene]benzohydrazide

Database IDs

• PubChem SID: 164238411
• PubChem CID: 5344767

CALCULATED PROPERTIES

• Acid pKa: 8.03084
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 4.1182966
• LogD (pH = 7.4): 4.3016906
• Log P: 4.397266
• Molar Refractivity: 120.3498 cm^3
• Polarizability: 47.939686 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds