9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol

C17H17FN4O — CID 70285039

IUPAC9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C(C)Cc2cccc(F)c23)cn1
InChIInChI=1S/C17H17FN4O/c1-10-8-12-4-3-5-14(18)16(12)22-15(10)17(23)21(20-22)13-7-6-11(2)19-9-13/h3-7,9-10,20,23H,8H2,1-2H3
InChIKeyUMLUKSZWCVUWTI-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.19
Rot. Bonds1

About 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol

9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol (PubChem CID 70285039) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol.

Molecular Properties

Compound Name9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol
PubChem CID70285039
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCc1ccc(N2NN3C(=C2O)C(C)Cc2cccc(F)c23)cn1
InChIInChI=1S/C17H17FN4O/c1-10-8-12-4-3-5-14(18)16(12)22-15(10)17(23)21(20-22)13-7-6-11(2)19-9-13/h3-7,9-10,20,23H,8H2,1-2H3
InChIKeyUMLUKSZWCVUWTI-UHFFFAOYSA-N
XLogP3.19
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol?
The IUPAC name of 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol (CID 70285039) is 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol.
What is the SMILES notation for 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol?
The canonical SMILES for 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol is Cc1ccc(N2NN3C(=C2O)C(C)Cc2cccc(F)c23)cn1.
What is the InChIKey of 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol?
The InChIKey is UMLUKSZWCVUWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10-8-12-4-3-5-14(18)16(12)22-15(10)17(23)21(20-22)13-7-6-11(2)19-9-13/h3-7,9-10,20,23H,8H2,1-2H3.
What are the key properties of 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol?
9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol has a molecular weight of 312.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-methyl-2-(6-methyl-3-pyridinyl)-4,5-dihydro-1H-triazolo[1,5-a]quinolin-3-ol is sourced from PubChem (CID 70285039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).