8-methoxy-5-methyltetrazolo[1,5-a]quinoline

C11H10N4O — CID 2238833

IUPAC8-methoxy-5-methyltetrazolo[1,5-a]quinoline
SMILESCOc1ccc2c(C)cc3nnnn3c2c1
InChIInChI=1S/C11H10N4O/c1-7-5-11-12-13-14-15(11)10-6-8(16-2)3-4-9(7)10/h3-6H,1-2H3
InChIKeyPHQUCNGIIYEFAQ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.59
Rot. Bonds1

About 8-methoxy-5-methyltetrazolo[1,5-a]quinoline

8-methoxy-5-methyltetrazolo[1,5-a]quinoline (PubChem CID 2238833) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 8-methoxy-5-methyltetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name8-methoxy-5-methyltetrazolo[1,5-a]quinoline
PubChem CID2238833
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name8-methoxy-5-methyltetrazolo[1,5-a]quinoline
SMILESCOc1ccc2c(C)cc3nnnn3c2c1
InChIInChI=1S/C11H10N4O/c1-7-5-11-12-13-14-15(11)10-6-8(16-2)3-4-9(7)10/h3-6H,1-2H3
InChIKeyPHQUCNGIIYEFAQ-UHFFFAOYSA-N
XLogP1.59
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyltetrazolo[1,5-a]quinoline?
The IUPAC name of 8-methoxy-5-methyltetrazolo[1,5-a]quinoline (CID 2238833) is 8-methoxy-5-methyltetrazolo[1,5-a]quinoline.
What is the SMILES notation for 8-methoxy-5-methyltetrazolo[1,5-a]quinoline?
The canonical SMILES for 8-methoxy-5-methyltetrazolo[1,5-a]quinoline is COc1ccc2c(C)cc3nnnn3c2c1.
What is the InChIKey of 8-methoxy-5-methyltetrazolo[1,5-a]quinoline?
The InChIKey is PHQUCNGIIYEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-5-11-12-13-14-15(11)10-6-8(16-2)3-4-9(7)10/h3-6H,1-2H3.
What are the key properties of 8-methoxy-5-methyltetrazolo[1,5-a]quinoline?
8-methoxy-5-methyltetrazolo[1,5-a]quinoline has a molecular weight of 214.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyltetrazolo[1,5-a]quinoline is sourced from PubChem (CID 2238833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).