3-(7-methoxynaphthalene-1-carbonyl)-1-pentyl-1H-indole

• ChemBase ID: 127948
• Molecular Formular: C25H25NO2
• Molecular Mass: 371.4715
• Monoisotopic Mass: 371.18852905
• SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2ccc(cc12)OC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cc(OC)cc2
• InChI: InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
• InChIKey: IJNSZBAEVYRFCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(7-methoxynaphthalene-1-carbonyl)-1-pentyl-1H-indole
• IUPAC Traditional name: 3-(7-methoxynaphthalene-1-carbonyl)-1-pentylindole
• Synonyms: JWH-164

Database IDs

• CAS Number: 824961-61-7
• PubChem SID: 162222264
• PubChem CID: 45271217
• Wikipedia Title: JWH-164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.35531
• LogD (pH = 7.4): 6.35531
• Log P: 6.35531
• Molar Refractivity: 114.0047 cm^3
• Polarizability: 46.51006 Å^3
• Polar Surface Area: 31.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false