6-chloro-4-oxoquinolizine-3-carboxylic acid

C10H6ClNO3 — CID 115034211

IUPAC6-chloro-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cccc(Cl)n2c1=O
InChIInChI=1S/C10H6ClNO3/c11-8-3-1-2-6-4-5-7(10(14)15)9(13)12(6)8/h1-5H,(H,14,15)
InChIKeyVCPCLNUOEQSYIK-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.65
Rot. Bonds1

About 6-chloro-4-oxoquinolizine-3-carboxylic acid

6-chloro-4-oxoquinolizine-3-carboxylic acid (PubChem CID 115034211) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-oxoquinolizine-3-carboxylic acid
PubChem CID115034211
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name6-chloro-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2cccc(Cl)n2c1=O
InChIInChI=1S/C10H6ClNO3/c11-8-3-1-2-6-4-5-7(10(14)15)9(13)12(6)8/h1-5H,(H,14,15)
InChIKeyVCPCLNUOEQSYIK-UHFFFAOYSA-N
XLogP1.65
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 76849588
8-bromo-4-oxoquinolizine-3-carboxylic acid
CID 115049814
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 69362108
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
4,5-dichloronaphthalene-1-carboxylic acid
CID 56990997
2,3-dimethylterephthalic acid
CID 158313107
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
1,4-dichlorobenzene;phthalic acid
CID 146444395
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-oxoquinolizine-3-carboxylic acid (CID 115034211) is 6-chloro-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1ccc2cccc(Cl)n2c1=O.
What is the InChIKey of 6-chloro-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is VCPCLNUOEQSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8-3-1-2-6-4-5-7(10(14)15)9(13)12(6)8/h1-5H,(H,14,15).
What are the key properties of 6-chloro-4-oxoquinolizine-3-carboxylic acid?
6-chloro-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 115034211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).