5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C20H20N4 — CID 110220973

About 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 110220973) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

• Compound Name: 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
• PubChem CID: 110220973
• Molecular Formula: C20H20N4
• Molecular Weight: 316.41 g/mol
• Exact Mass: 316.17
• IUPAC Name: 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
• SMILES: Cc1ncc2c(n1)CC1CCC2N1Cc1cccc2cccnc12
• InChI: InChI=1S/C20H20N4/c1-13-22-11-17-18(23-13)10-16-7-8-19(17)24(16)12-15-5-2-4-14-6-3-9-21-20(14)15/h2-6,9,11,16,19H,7-8,10,12H2,1H3
• InChIKey: WPKKFFLMEUMDPA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.41
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?

The IUPAC name of 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 110220973) is 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

What is the SMILES notation for 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?

The canonical SMILES for 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is Cc1ncc2c(n1)CC1CCC2N1Cc1cccc2cccnc12.

What is the InChIKey of 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?

The InChIKey is WPKKFFLMEUMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-22-11-17-18(23-13)10-16-7-8-19(17)24(16)12-15-5-2-4-14-6-3-9-21-20(14)15/h2-6,9,11,16,19H,7-8,10,12H2,1H3.

What are the key properties of 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?

5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 316.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-12-(quinolin-8-ylmethyl)-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 110220973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).