3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid

C14H14N4O3 — CID 25005791

IUPAC3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21
InChIInChI=1S/C14H14N4O3/c1-3-6-18-7-9(14(20)21)13(19)8-4-5-10-11(12(8)18)15-16-17(10)2/h4-5,7H,3,6H2,1-2H3,(H,20,21)
InChIKeyFLWMGLOKVGEMIZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.39
Rot. Bonds3

About 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid

3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 25005791) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid
PubChem CID25005791
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21
InChIInChI=1S/C14H14N4O3/c1-3-6-18-7-9(14(20)21)13(19)8-4-5-10-11(12(8)18)15-16-17(10)2/h4-5,7H,3,6H2,1-2H3,(H,20,21)
InChIKeyFLWMGLOKVGEMIZ-UHFFFAOYSA-N
XLogP1.39
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid (CID 25005791) is 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid is CCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21.
What is the InChIKey of 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is FLWMGLOKVGEMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-3-6-18-7-9(14(20)21)13(19)8-4-5-10-11(12(8)18)15-16-17(10)2/h4-5,7H,3,6H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid?
3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxo-9-propyltriazolo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 25005791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).