N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine

• ChemBase ID: 202422
• Molecular Formular: C23H19N3
• Molecular Mass: 337.41706
• Monoisotopic Mass: 337.15789762
• SMILES: c1(c2c(nc3c1cccc3)cccc2)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: c1ccc2c(c1)[nH]cc2CCNc1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C23H19N3/c1-4-10-20-17(7-1)16(15-25-20)13-14-24-23-18-8-2-5-11-21(18)26-22-12-6-3-9-19(22)23/h1-12,15,25H,13-14H2,(H,24,26)
• InChIKey: BBZAEOUKIQSLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine

Database IDs

• PubChem SID: 164258332
• PubChem CID: 2946841

CALCULATED PROPERTIES

• Acid pKa: 17.163153
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.396922
• LogD (pH = 7.4): 3.639234
• Log P: 5.090902
• Molar Refractivity: 106.7054 cm^3
• Polarizability: 44.32534 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds