9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide

C13H12N4O2 — CID 155581797

IUPAC9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c3nc(C)nn3c12
InChIInChI=1S/C13H12N4O2/c1-7-15-13-9(12(14)18)6-8-4-3-5-10(19-2)11(8)17(13)16-7/h3-6H,1-2H3,(H2,14,18)
InChIKeyMTHFNROUNZQFEE-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.30
Rot. Bonds2

About 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide

9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 155581797) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide
PubChem CID155581797
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide
SMILESCOc1cccc2cc(C(N)=O)c3nc(C)nn3c12
InChIInChI=1S/C13H12N4O2/c1-7-15-13-9(12(14)18)6-8-4-3-5-10(19-2)11(8)17(13)16-7/h3-6H,1-2H3,(H2,14,18)
InChIKeyMTHFNROUNZQFEE-UHFFFAOYSA-N
XLogP1.30
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide (CID 155581797) is 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide is COc1cccc2cc(C(N)=O)c3nc(C)nn3c12.
What is the InChIKey of 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is MTHFNROUNZQFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-15-13-9(12(14)18)6-8-4-3-5-10(19-2)11(8)17(13)16-7/h3-6H,1-2H3,(H2,14,18).
What are the key properties of 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide?
9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methyl-[1,2,4]triazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 155581797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).