3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid

C14H14N4O3 — CID 10446688

IUPAC3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3CC)c21
InChIInChI=1S/C14H14N4O3/c1-3-17-7-9(14(20)21)13(19)8-5-6-10-11(12(8)17)15-16-18(10)4-2/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyCXVIEHOSMGYPML-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.48
Rot. Bonds3

About 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid

3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 10446688) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
PubChem CID10446688
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3CC)c21
InChIInChI=1S/C14H14N4O3/c1-3-17-7-9(14(20)21)13(19)8-5-6-10-11(12(8)17)15-16-18(10)4-2/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyCXVIEHOSMGYPML-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (CID 10446688) is 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3CC)c21.
What is the InChIKey of 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is CXVIEHOSMGYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-3-17-7-9(14(20)21)13(19)8-5-6-10-11(12(8)17)15-16-18(10)4-2/h5-7H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diethyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 10446688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).