1,2,3,3-tetramethyl-3H-pyrrolo[3,2-h]quinolin-1-ium iodide

• ChemBase ID: 185600
• Molecular Formular: C15H17IN2
• Molecular Mass: 352.21335
• Monoisotopic Mass: 352.04364655
• SMILES: [N+]1(=C(C(c2c1c1ncccc1cc2)(C)C)C)C.[I-]
• Canonical SMILES: C[N+]1=C(C)C(c2c1c1ncccc1cc2)(C)C.[I-]
• InChI: InChI=1S/C15H17N2.HI/c1-10-15(2,3)12-8-7-11-6-5-9-16-13(11)14(12)17(10)4;/h5-9H,1-4H3;1H/q+1;/p-1
• InChIKey: HVFOKKFPZAVMJT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,3-tetramethyl-3H-pyrrolo[3,2-h]quinolin-1-ium iodide
• IUPAC Traditional name: 1,2,3,3-tetramethylpyrrolo[3,2-h]quinolin-1-ium iodide

Database IDs

• PubChem SID: 164241510
• PubChem CID: 2827561

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.07346912
• LogD (pH = 7.4): -0.0734578
• Log P: -0.07345766
• Molar Refractivity: 80.6985 cm^3
• Polarizability: 28.344387 Å^3
• Polar Surface Area: 15.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Derivatives & analogs of Natural Compounds