2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide

C18H13FN6O — CID 654588

IUPAC2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12
InChIInChI=1S/C18H13FN6O/c19-14-7-2-1-5-12(14)18-22-24-25(23-18)11-17(26)21-16-9-3-8-15-13(16)6-4-10-20-15/h1-10H,11H2,(H,21,26)
InChIKeyLXYRKDWNIMTOJZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.67
Rot. Bonds4

About 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide

2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide (PubChem CID 654588) has the molecular formula C18H13FN6O and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide
PubChem CID654588
Molecular FormulaC18H13FN6O
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide
SMILESO=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12
InChIInChI=1S/C18H13FN6O/c19-14-7-2-1-5-12(14)18-22-24-25(23-18)11-17(26)21-16-9-3-8-15-13(16)6-4-10-20-15/h1-10H,11H2,(H,21,26)
InChIKeyLXYRKDWNIMTOJZ-UHFFFAOYSA-N
XLogP2.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide (CID 654588) is 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide is O=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide?
The InChIKey is LXYRKDWNIMTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O/c19-14-7-2-1-5-12(14)18-22-24-25(23-18)11-17(26)21-16-9-3-8-15-13(16)6-4-10-20-15/h1-10H,11H2,(H,21,26).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide?
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide has a molecular weight of 348.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 654588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).