2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole

C17H11N7O — CID 155533015

IUPAC2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccc2c(c1)cc(-c1nnc(-c3ccncc3)o1)c1nnnn12
InChIInChI=1S/C17H11N7O/c1-10-2-3-14-12(8-10)9-13(15-19-22-23-24(14)15)17-21-20-16(25-17)11-4-6-18-7-5-11/h2-9H,1H3
InChIKeyTULDNECPRQWVCY-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.70
Rot. Bonds2

About 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 155533015) has the molecular formula C17H11N7O and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID155533015
Molecular FormulaC17H11N7O
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1ccc2c(c1)cc(-c1nnc(-c3ccncc3)o1)c1nnnn12
InChIInChI=1S/C17H11N7O/c1-10-2-3-14-12(8-10)9-13(15-19-22-23-24(14)15)17-21-20-16(25-17)11-4-6-18-7-5-11/h2-9H,1H3
InChIKeyTULDNECPRQWVCY-UHFFFAOYSA-N
XLogP2.70
TPSA94.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 155533015) is 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1ccc2c(c1)cc(-c1nnc(-c3ccncc3)o1)c1nnnn12.
What is the InChIKey of 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is TULDNECPRQWVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O/c1-10-2-3-14-12(8-10)9-13(15-19-22-23-24(14)15)17-21-20-16(25-17)11-4-6-18-7-5-11/h2-9H,1H3.
What are the key properties of 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 329.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 155533015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).