2-(8-hydroxyquinolin-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

• ChemBase ID: 226808
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C12(C(C3(CN(C(N(C1)C3)c1c3c(nccc3)c(cc1)O)C2)C)O)C
• Canonical SMILES: OC1C2(C)CN3CC1(C)CN(C2)C3c1ccc(c2c1cccn2)O
• InChI: InChI=1S/C19H23N3O2/c1-18-8-21-10-19(2,17(18)24)11-22(9-18)16(21)13-5-6-14(23)15-12(13)4-3-7-20-15/h3-7,16-17,23-24H,8-11H2,1-2H3
• InChIKey: MTLNSGIKMAXJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(8-hydroxyquinolin-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-ol
• IUPAC Traditional name: 2-(8-hydroxyquinolin-5-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-ol

Database IDs

• PubChem SID: 164282718
• PubChem CID: 71753959

CALCULATED PROPERTIES

• Acid pKa: 8.800417
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2130221
• LogD (pH = 7.4): 1.8154757
• Log P: 1.8502762
• Molar Refractivity: 91.5293 cm^3
• Polarizability: 37.45991 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds