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

C15H16N4O3 — CID 25006144

IUPAC9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21
InChIInChI=1S/C15H16N4O3/c1-3-4-7-19-8-10(15(21)22)14(20)9-5-6-11-12(13(9)19)16-17-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyQJIYCVWVMGSQDD-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.78
Rot. Bonds4

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

9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (PubChem CID 25006144) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
PubChem CID25006144
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21
InChIInChI=1S/C15H16N4O3/c1-3-4-7-19-8-10(15(21)22)14(20)9-5-6-11-12(13(9)19)16-17-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyQJIYCVWVMGSQDD-UHFFFAOYSA-N
XLogP1.78
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid (CID 25006144) is 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is CCCCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3C)c21.
What is the InChIKey of 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is QJIYCVWVMGSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-4-7-19-8-10(15(21)22)14(20)9-5-6-11-12(13(9)19)16-17-18(11)2/h5-6,8H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid?
9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 25006144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).