10-(3,4-dimethoxyphenyl)-11-hydroxy-6H,7H,8H,9H,10H-indeno[1,2-b]quinolin-9-one

• ChemBase ID: 186442
• Molecular Formular: C24H21NO4
• Molecular Mass: 387.42784
• Monoisotopic Mass: 387.14705816
• SMILES: C12=C(c3c(C1=NC1=C(C2c2cc(c(cc2)OC)OC)C(=O)CCC1)cccc3)O
• Canonical SMILES: COc1ccc(cc1OC)C1C2=C(CCCC2=O)N=C2C1=C(O)c1c2cccc1
• InChI: InChI=1S/C24H21NO4/c1-28-18-11-10-13(12-19(18)29-2)20-21-16(8-5-9-17(21)26)25-23-14-6-3-4-7-15(14)24(27)22(20)23/h3-4,6-7,10-12,20,27H,5,8-9H2,1-2H3
• InChIKey: OYKQKDXKENIEMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(3,4-dimethoxyphenyl)-11-hydroxy-6H,7H,8H,9H,10H-indeno[1,2-b]quinolin-9-one
• IUPAC Traditional name: 10-(3,4-dimethoxyphenyl)-11-hydroxy-6H,7H,8H,10H-indeno[1,2-b]quinolin-9-one

Database IDs

• PubChem SID: 164242352
• PubChem CID: 3809036

CALCULATED PROPERTIES

• Acid pKa: 8.173483
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0213673
• LogD (pH = 7.4): 2.9678297
• Log P: 3.0356984
• Molar Refractivity: 112.6718 cm^3
• Polarizability: 42.172134 Å^3
• Polar Surface Area: 68.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds