N-(3-hydroxyphenyl)-6-(4-oxo-3,4-dihydroquinazolin-3-yl)hexanamide

• ChemBase ID: 221979
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(=O)n(cnc2c1cccc2)CCCCCC(=O)Nc1cc(O)ccc1
• Canonical SMILES: O=C(Nc1cccc(c1)O)CCCCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C20H21N3O3/c24-16-8-6-7-15(13-16)22-19(25)11-2-1-5-12-23-14-21-18-10-4-3-9-17(18)20(23)26/h3-4,6-10,13-14,24H,1-2,5,11-12H2,(H,22,25)
• InChIKey: DGWNJWUCWAKQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-6-(4-oxo-3,4-dihydroquinazolin-3-yl)hexanamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-6-(4-oxoquinazolin-3-yl)hexanamide

Database IDs

• PubChem SID: 164277889
• PubChem CID: 39377499

CALCULATED PROPERTIES

• Acid pKa: 9.237176
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9698188
• LogD (pH = 7.4): 2.9656894
• Log P: 2.971949
• Molar Refractivity: 102.7953 cm^3
• Polarizability: 37.429745 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds