2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one

C17H13BrN4O2 — CID 166056982

IUPAC2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(-c3nc4ccc(Br)cn4n3)c(C)c(=O)c2c1
InChIInChI=1S/C17H13BrN4O2/c1-9-15(17-20-14-6-3-10(18)8-22(14)21-17)19-13-5-4-11(24-2)7-12(13)16(9)23/h3-8H,1-2H3,(H,19,23)
InChIKeyPLIHXWZDSRQVKO-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.32
Rot. Bonds2

About 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one (PubChem CID 166056982) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one
PubChem CID166056982
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(-c3nc4ccc(Br)cn4n3)c(C)c(=O)c2c1
InChIInChI=1S/C17H13BrN4O2/c1-9-15(17-20-14-6-3-10(18)8-22(14)21-17)19-13-5-4-11(24-2)7-12(13)16(9)23/h3-8H,1-2H3,(H,19,23)
InChIKeyPLIHXWZDSRQVKO-UHFFFAOYSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one (CID 166056982) is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one is COc1ccc2[nH]c(-c3nc4ccc(Br)cn4n3)c(C)c(=O)c2c1.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one?
The InChIKey is PLIHXWZDSRQVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c1-9-15(17-20-14-6-3-10(18)8-22(14)21-17)19-13-5-4-11(24-2)7-12(13)16(9)23/h3-8H,1-2H3,(H,19,23).
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one?
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one has a molecular weight of 385.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-6-methoxy-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 166056982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).