5-{5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl}quinolin-8-ol

• ChemBase ID: 226952
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: C1(N2CC3(CN1CC(C2)(C3)C)C)c1c2c(nccc2)c(cc1)O
• Canonical SMILES: Oc1ccc(c2c1nccc2)C1N2CC3(CN1CC(C2)(C3)C)C
• InChI: InChI=1S/C19H23N3O/c1-18-8-19(2)11-21(9-18)17(22(10-18)12-19)14-5-6-15(23)16-13(14)4-3-7-20-16/h3-7,17,23H,8-12H2,1-2H3
• InChIKey: ZQDDDTAPHWKPJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl}quinolin-8-ol
• IUPAC Traditional name: 5-{5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-2-yl}quinolin-8-ol

Database IDs

• PubChem SID: 164282862
• PubChem CID: 71754096

CALCULATED PROPERTIES

• Acid pKa: 8.802246
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8616396
• LogD (pH = 7.4): 2.8538892
• Log P: 2.9251797
• Molar Refractivity: 90.1678 cm^3
• Polarizability: 36.8711 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds