1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one

C16H18N4O2 — CID 155528517

IUPAC1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one
SMILESCCn1c(-c2cn(CC)c3ccc(C)cc3c2=O)n[nH]c1=O
InChIInChI=1S/C16H18N4O2/c1-4-19-9-12(15-17-18-16(22)20(15)5-2)14(21)11-8-10(3)6-7-13(11)19/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyLQXXTNIKXHZQPL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.90
Rot. Bonds3

About 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one

1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one (PubChem CID 155528517) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one
PubChem CID155528517
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one
SMILESCCn1c(-c2cn(CC)c3ccc(C)cc3c2=O)n[nH]c1=O
InChIInChI=1S/C16H18N4O2/c1-4-19-9-12(15-17-18-16(22)20(15)5-2)14(21)11-8-10(3)6-7-13(11)19/h6-9H,4-5H2,1-3H3,(H,18,22)
InChIKeyLQXXTNIKXHZQPL-UHFFFAOYSA-N
XLogP1.90
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one?
The IUPAC name of 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one (CID 155528517) is 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one.
What is the SMILES notation for 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one?
The canonical SMILES for 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one is CCn1c(-c2cn(CC)c3ccc(C)cc3c2=O)n[nH]c1=O.
What is the InChIKey of 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one?
The InChIKey is LQXXTNIKXHZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-19-9-12(15-17-18-16(22)20(15)5-2)14(21)11-8-10(3)6-7-13(11)19/h6-9H,4-5H2,1-3H3,(H,18,22).
What are the key properties of 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one?
1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one is sourced from PubChem (CID 155528517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).