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

C16H14FN5O — CID 70282995

IUPAC5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C=C(N)c2cccc(F)c23)cn1
InChIInChI=1S/C16H14FN5O/c1-9-5-6-10(8-19-9)21-16(23)14-7-13(18)11-3-2-4-12(17)15(11)22(14)20-21/h2-8,20,23H,18H2,1H3
InChIKeyAQDMEUQLYPXXHP-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.32
Rot. Bonds1

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

5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol (PubChem CID 70282995) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol.

Molecular Properties

Compound Name5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
PubChem CID70282995
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C=C(N)c2cccc(F)c23)cn1
InChIInChI=1S/C16H14FN5O/c1-9-5-6-10(8-19-9)21-16(23)14-7-13(18)11-3-2-4-12(17)15(11)22(14)20-21/h2-8,20,23H,18H2,1H3
InChIKeyAQDMEUQLYPXXHP-UHFFFAOYSA-N
XLogP2.32
TPSA77.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The IUPAC name of 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol (CID 70282995) is 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol.
What is the SMILES notation for 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The canonical SMILES for 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol is Cc1ccc(N2NN3C(=C2O)C=C(N)c2cccc(F)c23)cn1.
What is the InChIKey of 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
The InChIKey is AQDMEUQLYPXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-9-5-6-10(8-19-9)21-16(23)14-7-13(18)11-3-2-4-12(17)15(11)22(14)20-21/h2-8,20,23H,18H2,1H3.
What are the key properties of 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol?
5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol has a molecular weight of 311.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-fluoro-2-(6-methyl-3-pyridinyl)-1H-triazolo[1,5-a]quinolin-3-ol is sourced from PubChem (CID 70282995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).