8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one

C11H9N5O — CID 14450298

IUPAC8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one
SMILESCc1cc(-n2cnnn2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C11H9N5O/c1-7-4-9(16-6-12-14-15-16)5-8-2-3-10(17)13-11(7)8/h2-6H,1H3,(H,13,17)
InChIKeyREYQXQFHKWDLSK-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.81
Rot. Bonds1

About 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one

8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one (PubChem CID 14450298) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one
PubChem CID14450298
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one
SMILESCc1cc(-n2cnnn2)cc2ccc(=O)[nH]c12
InChIInChI=1S/C11H9N5O/c1-7-4-9(16-6-12-14-15-16)5-8-2-3-10(17)13-11(7)8/h2-6H,1H3,(H,13,17)
InChIKeyREYQXQFHKWDLSK-UHFFFAOYSA-N
XLogP0.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one?
The IUPAC name of 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one (CID 14450298) is 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one is Cc1cc(-n2cnnn2)cc2ccc(=O)[nH]c12.
What is the InChIKey of 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one?
The InChIKey is REYQXQFHKWDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-4-9(16-6-12-14-15-16)5-8-2-3-10(17)13-11(7)8/h2-6H,1H3,(H,13,17).
What are the key properties of 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one?
8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one has a molecular weight of 227.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 14450298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).