2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one

• ChemBase ID: 290324
• Molecular Formular: C20H22N2O5
• Molecular Mass: 370.39908
• Monoisotopic Mass: 370.15287181
• SMILES: COc1cc(OC)c2c(=O)[nH]c(nc2c1)c1cc(C)c(OCCO)c(C)c1
• Canonical SMILES: OCCOc1c(C)cc(cc1C)c1nc2cc(OC)cc(c2c(=O)[nH]1)OC
• InChI: InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
• InChIKey: NETXMUIMUZJUTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
• Synonyms: 2-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one; RVX-000222; RVX-208(RVX-000222)

Database IDs

• CAS Number: 1044870-39-4
• MDL Number: MFCD18633270
• PubChem SID: 180675855
• PubChem CID: 24871506

CALCULATED PROPERTIES

• Acid pKa: 7.8944373
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.4897768
• LogD (pH = 7.4): 2.3862514
• Log P: 2.4913418
• Molar Refractivity: 103.8247 cm^3
• Polarizability: 38.13947 Å^3
• Polar Surface Area: 89.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Epigenetic Reader Domain

Product Information

• Purity: 95+%; 97%
• Salt Data: Free Base