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

C17H22N4O2 — CID 46964681

IUPAC4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C17H22N4O2/c1-11-7-12(2)14-9-13(10-18-5-6-23-4)16-19-20(3)17(22)21(16)15(14)8-11/h7-9,18H,5-6,10H2,1-4H3
InChIKeyLZYDJAFSVWNEPG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.54
Rot. Bonds5

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

4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46964681) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID46964681
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C17H22N4O2/c1-11-7-12(2)14-9-13(10-18-5-6-23-4)16-19-20(3)17(22)21(16)15(14)8-11/h7-9,18H,5-6,10H2,1-4H3
InChIKeyLZYDJAFSVWNEPG-UHFFFAOYSA-N
XLogP1.54
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46964681) is 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is COCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is LZYDJAFSVWNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-7-12(2)14-9-13(10-18-5-6-23-4)16-19-20(3)17(22)21(16)15(14)8-11/h7-9,18H,5-6,10H2,1-4H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one?
4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 314.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-2,6,8-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46964681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).