3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline

C16H10BrN5 — CID 23723014

IUPAC3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline
SMILESBrc1ccccc1-n1nnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C16H10BrN5/c17-13-6-2-4-8-15(13)22-20-16(19-21-22)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H
InChIKeyQWYGLLZAXASXLM-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.64
Rot. Bonds2

About 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline

3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline (PubChem CID 23723014) has the molecular formula C16H10BrN5 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline
PubChem CID23723014
Molecular FormulaC16H10BrN5
Molecular Weight352.20 g/mol
Exact Mass351.01
IUPAC Name3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline
SMILESBrc1ccccc1-n1nnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C16H10BrN5/c17-13-6-2-4-8-15(13)22-20-16(19-21-22)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H
InChIKeyQWYGLLZAXASXLM-UHFFFAOYSA-N
XLogP3.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline?
The IUPAC name of 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline (CID 23723014) is 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline.
What is the SMILES notation for 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline?
The canonical SMILES for 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline is Brc1ccccc1-n1nnc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline?
The InChIKey is QWYGLLZAXASXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5/c17-13-6-2-4-8-15(13)22-20-16(19-21-22)12-9-11-5-1-3-7-14(11)18-10-12/h1-10H.
What are the key properties of 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline?
3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline has a molecular weight of 352.20 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)tetrazol-5-yl]quinoline is sourced from PubChem (CID 23723014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).