4-oxoquinolizine-2-carboxylic acid

C10H7NO3 — CID 21364137

IUPAC4-oxoquinolizine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccccc2c1
InChIInChI=1S/C10H7NO3/c12-9-6-7(10(13)14)5-8-3-1-2-4-11(8)9/h1-6H,(H,13,14)
InChIKeyIESNDABICYFFDF-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.00
Rot. Bonds1

About 4-oxoquinolizine-2-carboxylic acid

4-oxoquinolizine-2-carboxylic acid (PubChem CID 21364137) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-oxoquinolizine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxoquinolizine-2-carboxylic acid
PubChem CID21364137
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name4-oxoquinolizine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2ccccc2c1
InChIInChI=1S/C10H7NO3/c12-9-6-7(10(13)14)5-8-3-1-2-4-11(8)9/h1-6H,(H,13,14)
InChIKeyIESNDABICYFFDF-UHFFFAOYSA-N
XLogP1.00
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Oxo-1-(propan-2-yl)-1,6-dihydropyridine-3-carboxylic acid
CID 21885916
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
1,2-Dihydro-1,6-dimethyl-2-oxo-4-pyridinecarboxylic acid
CID 68432029
1-(3-Fluoropropyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid
CID 44600577
1-(2-Fluoroethyl)-2-oxopyridine-4-carboxylic acid
CID 44600737
2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600739
1-Fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56609217
9-(Fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
CID 56618208
7-Fluoro-9-methyl-4-oxoquinolizine-1-carboxylic acid
CID 56633826
4H-quinolizine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 88179097
2-Oxymethyl-4-oxo-chinolizin
CID 129889351

Frequently Asked Questions

What is the IUPAC name of 4-oxoquinolizine-2-carboxylic acid?
The IUPAC name of 4-oxoquinolizine-2-carboxylic acid (CID 21364137) is 4-oxoquinolizine-2-carboxylic acid.
What is the SMILES notation for 4-oxoquinolizine-2-carboxylic acid?
The canonical SMILES for 4-oxoquinolizine-2-carboxylic acid is O=C(O)c1cc(=O)n2ccccc2c1.
What is the InChIKey of 4-oxoquinolizine-2-carboxylic acid?
The InChIKey is IESNDABICYFFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-6-7(10(13)14)5-8-3-1-2-4-11(8)9/h1-6H,(H,13,14).
What are the key properties of 4-oxoquinolizine-2-carboxylic acid?
4-oxoquinolizine-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoquinolizine-2-carboxylic acid is sourced from PubChem (CID 21364137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).