6-iodo-3-(4-methoxybenzoyl)-2-methyl-1-[2-(morpholin-4-yl)ethyl]-1H-indole

• ChemBase ID: 125771
• Molecular Formular: C23H25IN2O3
• Molecular Mass: 504.36067
• Monoisotopic Mass: 504.09099067
• SMILES: C1COCCN1CCn1c(C)c(c2c1cc(I)cc2)C(=O)c1ccc(OC)cc1
• Canonical SMILES: COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1
• InChI: InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
• InChIKey: JHOTYHDSLIUKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-3-(4-methoxybenzoyl)-2-methyl-1-[2-(morpholin-4-yl)ethyl]-1H-indole
• IUPAC Traditional name: 6-iodo-3-(4-methoxybenzoyl)-2-methyl-1-[2-(morpholin-4-yl)ethyl]indole
• Synonyms: AM-630

Database IDs

• CAS Number: 164178-33-0
• PubChem SID: 162220118
• PubChem CID: 4302963
• CHEMBL: 181633
• Chemspider ID: 3508738
• Wikipedia Title: AM-630

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5702267
• LogD (pH = 7.4): 4.4840817
• Log P: 4.5260153
• Molar Refractivity: 124.6857 cm^3
• Polarizability: 48.878723 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false