(1Z)-1-hydrazinylidene-3,3,6-trimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline

• ChemBase ID: 193207
• Molecular Formular: C18H20N4
• Molecular Mass: 292.3782
• Monoisotopic Mass: 292.16879666
• SMILES: c12c3c(nc(c1c1c([nH]2)cccc1)C)CC(C/C/3=N/N)(C)C
• Canonical SMILES: N/N=C\1/CC(C)(C)Cc2c1c1[nH]c3c(c1c(n2)C)cccc3
• InChI: InChI=1S/C18H20N4/c1-10-15-11-6-4-5-7-12(11)21-17(15)16-13(20-10)8-18(2,3)9-14(16)22-19/h4-7,21H,8-9,19H2,1-3H3/b22-14-
• InChIKey: IHBRBXKSIBNSBE-HMAPJEAMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z)-1-hydrazinylidene-3,3,6-trimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline
• IUPAC Traditional name: (1Z)-1-hydrazinylidene-3,3,6-trimethyl-2H,4H,11H-indolo[3,2-c]quinoline

Database IDs

• PubChem SID: 164249117
• PubChem CID: 5417052

CALCULATED PROPERTIES

• Acid pKa: 12.436051
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.130817
• LogD (pH = 7.4): 2.354844
• Log P: 2.4896302
• Molar Refractivity: 89.3166 cm^3
• Polarizability: 36.41408 Å^3
• Polar Surface Area: 67.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds