4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline

C15H8F3N5 — CID 59696662

IUPAC4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline
SMILESFC(F)(F)c1ccc2cc(-c3cccnc3)c3nnnn3c2c1
InChIInChI=1S/C15H8F3N5/c16-15(17,18)11-4-3-9-6-12(10-2-1-5-19-8-10)14-20-21-22-23(14)13(9)7-11/h1-8H
InChIKeyAWSFLBOPSHWFHE-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.36
Rot. Bonds1

About 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline

4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline (PubChem CID 59696662) has the molecular formula C15H8F3N5 and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline
PubChem CID59696662
Molecular FormulaC15H8F3N5
Molecular Weight315.26 g/mol
Exact Mass315.07
IUPAC Name4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline
SMILESFC(F)(F)c1ccc2cc(-c3cccnc3)c3nnnn3c2c1
InChIInChI=1S/C15H8F3N5/c16-15(17,18)11-4-3-9-6-12(10-2-1-5-19-8-10)14-20-21-22-23(14)13(9)7-11/h1-8H
InChIKeyAWSFLBOPSHWFHE-UHFFFAOYSA-N
XLogP3.36
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline?
The IUPAC name of 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline (CID 59696662) is 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline.
What is the SMILES notation for 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline?
The canonical SMILES for 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline is FC(F)(F)c1ccc2cc(-c3cccnc3)c3nnnn3c2c1.
What is the InChIKey of 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline?
The InChIKey is AWSFLBOPSHWFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N5/c16-15(17,18)11-4-3-9-6-12(10-2-1-5-19-8-10)14-20-21-22-23(14)13(9)7-11/h1-8H.
What are the key properties of 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline?
4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline has a molecular weight of 315.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoline is sourced from PubChem (CID 59696662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).