1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide

C19H14FN5O — CID 17399887

IUPAC1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3ncccc23)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O/c1-12-22-18(24-25(12)14-9-7-13(20)8-10-14)19(26)23-17-6-2-5-16-15(17)4-3-11-21-16/h2-11H,1H3,(H,23,26)
InChIKeyLKSNXGGHRMYJMX-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide (PubChem CID 17399887) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide
PubChem CID17399887
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3ncccc23)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O/c1-12-22-18(24-25(12)14-9-7-13(20)8-10-14)19(26)23-17-6-2-5-16-15(17)4-3-11-21-16/h2-11H,1H3,(H,23,26)
InChIKeyLKSNXGGHRMYJMX-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(2-phenylphenyl)-1,2,4-triazole-3-carboxamide
CID 24508971
1-(4-fluorophenyl)-5-methyl-N-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 25333145
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 15944333
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
CID 146080713
1-(4-fluorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 51246107
N'-benzoyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbohydrazide
CID 46651849
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate
CID 55523776
N-(3-acetamido-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86922095
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 7018908
N-(2-fluoro-5-nitrophenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 55433917

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide (CID 17399887) is 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2cccc3ncccc23)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is LKSNXGGHRMYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-22-18(24-25(12)14-9-7-13(20)8-10-14)19(26)23-17-6-2-5-16-15(17)4-3-11-21-16/h2-11H,1H3,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17399887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).