4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one

• ChemBase ID: 242806
• Molecular Formular: C19H17NO2
• Molecular Mass: 291.34378
• Monoisotopic Mass: 291.12592879
• SMILES: n1(c2c(c(=O)c3c1ccc(c3)Oc1ccccc1)CCC2)C
• Canonical SMILES: O=c1c2CCCc2n(c2c1cc(cc2)Oc1ccccc1)C
• InChI: InChI=1S/C19H17NO2/c1-20-17-9-5-8-15(17)19(21)16-12-14(10-11-18(16)20)22-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3
• InChIKey: IEPAVMQFOSNIHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one
• IUPAC Traditional name: 4-methyl-7-phenoxy-1H,2H,3H-cyclopenta[b]quinolin-9-one
• Synonyms: 4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one

Database IDs

• MDL Number: MFCD02115681
• PubChem SID: 164298716
• PubChem CID: 23820664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9425693
• LogD (pH = 7.4): 3.9425693
• Log P: 3.9425693
• Molar Refractivity: 88.3923 cm^3
• Polarizability: 33.04368 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.449

Product Information

• Purity: 95%