9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol

C16H13FN4O — CID 70283323

IUPAC9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C=Cc2cccc(F)c23)cn1
InChIInChI=1S/C16H13FN4O/c1-10-5-7-12(9-18-10)20-16(22)14-8-6-11-3-2-4-13(17)15(11)21(14)19-20/h2-9,19,22H,1H3
InChIKeyZGJUVXKVRQJYOU-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.03
Rot. Bonds1

About 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol

9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol (PubChem CID 70283323) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol.

Molecular Properties

Compound Name9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
PubChem CID70283323
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C=Cc2cccc(F)c23)cn1
InChIInChI=1S/C16H13FN4O/c1-10-5-7-12(9-18-10)20-16(22)14-8-6-11-3-2-4-13(17)15(11)21(14)19-20/h2-9,19,22H,1H3
InChIKeyZGJUVXKVRQJYOU-UHFFFAOYSA-N
XLogP3.03
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The IUPAC name of 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol (CID 70283323) is 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol.
What is the SMILES notation for 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The canonical SMILES for 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol is Cc1ccc(N2NN3C(=C2O)C=Cc2cccc(F)c23)cn1.
What is the InChIKey of 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The InChIKey is ZGJUVXKVRQJYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-10-5-7-12(9-18-10)20-16(22)14-8-6-11-3-2-4-13(17)15(11)21(14)19-20/h2-9,19,22H,1H3.
What are the key properties of 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol has a molecular weight of 296.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol is sourced from PubChem (CID 70283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).