(3Z)-6-chloro-3-[(6-methoxy-1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 224862
• Molecular Formular: C19H15ClN2O2
• Molecular Mass: 338.7876
• Monoisotopic Mass: 338.08220541
• SMILES: C\1(=C/c2cn(c3c2ccc(c3)OC)C)/C(=O)Nc2c1ccc(c2)Cl
• Canonical SMILES: COc1ccc2c(c1)n(C)cc2/C=C/1\C(=O)Nc2c1ccc(c2)Cl
• InChI: InChI=1S/C19H15ClN2O2/c1-22-10-11(14-6-4-13(24-2)9-18(14)22)7-16-15-5-3-12(20)8-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)/b16-7-
• InChIKey: WARRZPNERXLDJY-APSNUPSMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-6-chloro-3-[(6-methoxy-1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: (3Z)-6-chloro-3-[(6-methoxy-1-methylindol-3-yl)methylidene]-1H-indol-2-one

Database IDs

• PubChem SID: 164280772
• PubChem CID: 52905390

CALCULATED PROPERTIES

• Acid pKa: 11.101995
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0340405
• LogD (pH = 7.4): 4.03396
• Log P: 4.0340414
• Molar Refractivity: 96.9825 cm^3
• Polarizability: 37.15631 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds