(1E)-1-(dimethylhydrazin-1-ylidene)-3,3,6-trimethyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline

• ChemBase ID: 182276
• Molecular Formular: C20H24N4
• Molecular Mass: 320.43136
• Monoisotopic Mass: 320.20009679
• SMILES: c12c3/C(=N/N(C)C)/CC(Cc3nc(c1c1c([nH]2)cccc1)C)(C)C
• Canonical SMILES: CN(/N=C/1\CC(C)(C)Cc2c1c1[nH]c3c(c1c(n2)C)cccc3)C
• InChI: InChI=1S/C20H24N4/c1-12-17-13-8-6-7-9-14(13)22-19(17)18-15(21-12)10-20(2,3)11-16(18)23-24(4)5/h6-9,22H,10-11H2,1-5H3/b23-16+
• InChIKey: APMRKHQRFMGUES-XQNSMLJCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238186
• PubChem CID: 5420823

CALCULATED PROPERTIES

• Acid pKa: 12.430276
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.89134574
• LogD (pH = 7.4): 2.1455128
• Log P: 2.6554005
• Molar Refractivity: 97.9259 cm^3
• Polarizability: 40.10802 Å^3
• Polar Surface Area: 44.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds