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

• ChemBase ID: 226545
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: C12(C(C3(CN(C(N(C3)C2)c2nc3c(cc2)cccc3)C1)C)O)C
• Canonical SMILES: OC1C2(C)CN3CC1(C)CN(C2)C3c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)15-8-7-13-5-3-4-6-14(13)20-15/h3-8,16-17,23H,9-12H2,1-2H3
• InChIKey: ZDTPATLSPXVVKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282455
• PubChem CID: 71753708

CALCULATED PROPERTIES

• Acid pKa: 14.169674
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1842446
• LogD (pH = 7.4): 2.3089519
• Log P: 2.3107977
• Molar Refractivity: 89.1947 cm^3
• Polarizability: 36.882805 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