4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one

C20H26N4O — CID 46954769

About 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one

4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46954769) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

• Compound Name: 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
• PubChem CID: 46954769
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
• SMILES: Cc1cc(C)c2cc(CNC3CCCCC3)c3nn(C)c(=O)n3c2c1
• InChI: InChI=1S/C20H26N4O/c1-13-9-14(2)17-11-15(12-21-16-7-5-4-6-8-16)19-22-23(3)20(25)24(19)18(17)10-13/h9-11,16,21H,4-8,12H2,1-3H3
• InChIKey: PCPRXKMRTJBBMZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 51.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The IUPAC name of 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46954769) is 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.

What is the SMILES notation for 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The canonical SMILES for 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc(C)c2cc(CNC3CCCCC3)c3nn(C)c(=O)n3c2c1.

What is the InChIKey of 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The InChIKey is PCPRXKMRTJBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-9-14(2)17-11-15(12-21-16-7-5-4-6-8-16)19-22-23(3)20(25)24(19)18(17)10-13/h9-11,16,21H,4-8,12H2,1-3H3.

What are the key properties of 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?

4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 338.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(cyclohexylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46954769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).