1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide

C12H10N6O3 — CID 15632117

IUPAC1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12
InChIInChI=1S/C12H10N6O3/c1-21-9-6-7(10(19)13-12-14-16-17-15-12)11(20)18-5-3-2-4-8(9)18/h2-6H,1H3,(H2,13,14,15,16,17,19)
InChIKeyYOZQJTBTQVUWIB-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.07
Rot. Bonds3

About 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide

1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide (PubChem CID 15632117) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide.

Molecular Properties

Compound Name1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
PubChem CID15632117
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12
InChIInChI=1S/C12H10N6O3/c1-21-9-6-7(10(19)13-12-14-16-17-15-12)11(20)18-5-3-2-4-8(9)18/h2-6H,1H3,(H2,13,14,15,16,17,19)
InChIKeyYOZQJTBTQVUWIB-UHFFFAOYSA-N
XLogP0.07
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The IUPAC name of 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide (CID 15632117) is 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide.
What is the SMILES notation for 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The canonical SMILES for 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide is COc1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12.
What is the InChIKey of 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The InChIKey is YOZQJTBTQVUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c1-21-9-6-7(10(19)13-12-14-16-17-15-12)11(20)18-5-3-2-4-8(9)18/h2-6H,1H3,(H2,13,14,15,16,17,19).
What are the key properties of 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide is sourced from PubChem (CID 15632117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).