1-fluoro-4-oxoquinolizine-3-carboxylic acid

C10H6FNO3 — CID 56610835

IUPAC1-fluoro-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c2ccccn2c1=O
InChIInChI=1S/C10H6FNO3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h1-5H,(H,14,15)
InChIKeyISQILOFAVLIAEW-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.14
Rot. Bonds1

About 1-fluoro-4-oxoquinolizine-3-carboxylic acid

1-fluoro-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56610835) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is 1-fluoro-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-4-oxoquinolizine-3-carboxylic acid
PubChem CID56610835
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Name1-fluoro-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c2ccccn2c1=O
InChIInChI=1S/C10H6FNO3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h1-5H,(H,14,15)
InChIKeyISQILOFAVLIAEW-UHFFFAOYSA-N
XLogP1.14
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-[(5-phenyl-2-pyridinyl)methyl]quinolizine-3-carboxylic acid
CID 58360359
4-oxo-1-[(3-oxo-4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70692446
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115025656
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
4-oxo-3-[3-(trifluoromethyl)phenyl]quinolizine-1-carboxylic acid
CID 19020453
3-benzoylindolizine-1-carboxylic acid
CID 71356515
1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 25263944
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
CID 82393340
9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 56617934
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-fluoro-4-oxoquinolizine-3-carboxylic acid (CID 56610835) is 1-fluoro-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-fluoro-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-fluoro-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1cc(F)c2ccccn2c1=O.
What is the InChIKey of 1-fluoro-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is ISQILOFAVLIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c11-7-5-6(10(14)15)9(13)12-4-2-1-3-8(7)12/h1-5H,(H,14,15).
What are the key properties of 1-fluoro-4-oxoquinolizine-3-carboxylic acid?
1-fluoro-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56610835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).