5-phenyl-1H,2H,3H,4H,5H,11H-isoindolo[2,1-a]quinolin-11-one

• ChemBase ID: 182232
• Molecular Formular: C22H19NO
• Molecular Mass: 313.39236
• Monoisotopic Mass: 313.14666423
• SMILES: N12C(=CC(C3=C2CCCC3)c2ccccc2)c2c(C1=O)cccc2
• Canonical SMILES: O=C1N2C3=C(CCCC3)C(C=C2c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C22H19NO/c24-22-18-12-5-4-10-16(18)21-14-19(15-8-2-1-3-9-15)17-11-6-7-13-20(17)23(21)22/h1-5,8-10,12,14,19H,6-7,11,13H2
• InChIKey: PFOLYIMFQYLPQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-1H,2H,3H,4H,5H,11H-isoindolo[2,1-a]quinolin-11-one
• IUPAC Traditional name: 5-phenyl-1H,2H,3H,4H,5H-isoindolo[2,1-a]quinolin-11-one

Database IDs

• PubChem SID: 164238142
• PubChem CID: 3775693

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.85221
• LogD (pH = 7.4): 3.85221
• Log P: 3.85221
• Molar Refractivity: 98.9506 cm^3
• Polarizability: 36.765858 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds