4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide

C17H12N6O3 — CID 140526538

IUPAC4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide
SMILESO=C(NOc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccn2c1=O
InChIInChI=1S/C17H12N6O3/c24-16(14-9-6-12-3-1-2-10-23(12)17(14)25)20-26-13-7-4-11(5-8-13)15-18-21-22-19-15/h1-10H,(H,20,24)(H,18,19,21,22)
InChIKeyIMLGPGGIINKTMG-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.20
Rot. Bonds4

About 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide

4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide (PubChem CID 140526538) has the molecular formula C17H12N6O3 and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide
PubChem CID140526538
Molecular FormulaC17H12N6O3
Molecular Weight348.32 g/mol
Exact Mass348.10
IUPAC Name4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide
SMILESO=C(NOc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccn2c1=O
InChIInChI=1S/C17H12N6O3/c24-16(14-9-6-12-3-1-2-10-23(12)17(14)25)20-26-13-7-4-11(5-8-13)15-18-21-22-19-15/h1-10H,(H,20,24)(H,18,19,21,22)
InChIKeyIMLGPGGIINKTMG-UHFFFAOYSA-N
XLogP1.20
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide (CID 140526538) is 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide is O=C(NOc1ccc(-c2nn[nH]n2)cc1)c1ccc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide?
The InChIKey is IMLGPGGIINKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O3/c24-16(14-9-6-12-3-1-2-10-23(12)17(14)25)20-26-13-7-4-11(5-8-13)15-18-21-22-19-15/h1-10H,(H,20,24)(H,18,19,21,22).
What are the key properties of 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide?
4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(2H-tetrazol-5-yl)phenoxy]quinolizine-3-carboxamide is sourced from PubChem (CID 140526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).