1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one

C11H9N5O2 — CID 70406178

IUPAC1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCn1nnnc1-c1cn(O)c2ccccc2c1=O
InChIInChI=1S/C11H9N5O2/c1-15-11(12-13-14-15)8-6-16(18)9-5-3-2-4-7(9)10(8)17/h2-6,18H,1H3
InChIKeyWWTKAAJXKDLIIG-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.43
Rot. Bonds1

About 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one

1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one (PubChem CID 70406178) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one
PubChem CID70406178
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one
SMILESCn1nnnc1-c1cn(O)c2ccccc2c1=O
InChIInChI=1S/C11H9N5O2/c1-15-11(12-13-14-15)8-6-16(18)9-5-3-2-4-7(9)10(8)17/h2-6,18H,1H3
InChIKeyWWTKAAJXKDLIIG-UHFFFAOYSA-N
XLogP0.43
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(1-phenyltetrazol-5-yl)quinolin-4-one
CID 822915
7-bromo-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 13474410
7-(dimethylamino)-1-methyl-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 13474436
1-hydroxy-3-pyridin-2-ylquinolin-4-one
CID 54475265
4-chloro-3-(1-methyltetrazol-5-yl)quinoline
CID 10037528
2-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 14179829
5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
CID 126500100
3-bromo-1-methylquinolin-4-one
CID 23279589
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
5-(3-tert-butyl-2-methoxyphenyl)-1-methyltetrazole
CID 126500099
6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The IUPAC name of 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one (CID 70406178) is 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one.
What is the SMILES notation for 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The canonical SMILES for 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one is Cn1nnnc1-c1cn(O)c2ccccc2c1=O.
What is the InChIKey of 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one?
The InChIKey is WWTKAAJXKDLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-15-11(12-13-14-15)8-6-16(18)9-5-3-2-4-7(9)10(8)17/h2-6,18H,1H3.
What are the key properties of 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one?
1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one has a molecular weight of 243.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one is sourced from PubChem (CID 70406178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).