(1E)-1-(2-ethylhydrazin-1-ylidene)-3,3-dimethyl-6-propyl-1H,2H,3H,4H,11H-indolo[3,2-c]quinoline

• ChemBase ID: 184583
• Molecular Formular: C22H28N4
• Molecular Mass: 348.48452
• Monoisotopic Mass: 348.23139692
• SMILES: c12c3c(nc(c1c1c([nH]2)cccc1)CCC)CC(C/C/3=N\NCC)(C)C
• Canonical SMILES: CCN/N=C/1\CC(C)(C)Cc2c1c1[nH]c3c(c1c(n2)CCC)cccc3
• InChI: InChI=1S/C22H28N4/c1-5-9-16-19-14-10-7-8-11-15(14)25-21(19)20-17(24-16)12-22(3,4)13-18(20)26-23-6-2/h7-8,10-11,23,25H,5-6,9,12-13H2,1-4H3/b26-18+
• InChIKey: DLHHBRPGCXPKBF-NLRVBDNBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240493
• PubChem CID: 6292624

CALCULATED PROPERTIES

• Acid pKa: 12.397471
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.938713
• LogD (pH = 7.4): 4.107282
• Log P: 4.215219
• Molar Refractivity: 117.6206 cm^3
• Polarizability: 43.801613 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds