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

C17H22N4O — CID 46965232

IUPAC2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C17H22N4O/c1-5-6-18-10-13-9-14-12(3)7-11(2)8-15(14)21-16(13)19-20(4)17(21)22/h7-9,18H,5-6,10H2,1-4H3
InChIKeyDODYCUZKTYNANC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.30
Rot. Bonds4

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

2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 46965232) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID46965232
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12
InChIInChI=1S/C17H22N4O/c1-5-6-18-10-13-9-14-12(3)7-11(2)8-15(14)21-16(13)19-20(4)17(21)22/h7-9,18H,5-6,10H2,1-4H3
InChIKeyDODYCUZKTYNANC-UHFFFAOYSA-N
XLogP2.30
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 46965232) is 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one is CCCNCc1cc2c(C)cc(C)cc2n2c(=O)n(C)nc12.
What is the InChIKey of 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is DODYCUZKTYNANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-6-18-10-13-9-14-12(3)7-11(2)8-15(14)21-16(13)19-20(4)17(21)22/h7-9,18H,5-6,10H2,1-4H3.
What are the key properties of 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one?
2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-4-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 46965232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).