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

• ChemBase ID: 226606
• Molecular Formular: C19H23N3
• Molecular Mass: 293.40602
• Monoisotopic Mass: 293.18919775
• SMILES: N12C(N3CC(C2)(CC(C1)(C3)C)C)c1nc2c(cc1)cccc2
• Canonical SMILES: CC12CN3CC(C2)(CN(C1)C3c1ccc2c(n1)cccc2)C
• InChI: InChI=1S/C19H23N3/c1-18-9-19(2)12-21(10-18)17(22(11-18)13-19)16-8-7-14-5-3-4-6-15(14)20-16/h3-8,17H,9-13H2,1-2H3
• InChIKey: NTXMSHDTTBZPRL-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]decane
• IUPAC Traditional name: 5,7-dimethyl-2-(quinolin-2-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decane

Database IDs

• PubChem SID: 164282516
• PubChem CID: 71753766

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0611644
• LogD (pH = 7.4): 3.3796678
• Log P: 3.3857012
• Molar Refractivity: 87.8332 cm^3
• Polarizability: 36.313686 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds