9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid

C11H8FNO3 — CID 56618208

IUPAC9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(CF)cccn2c1=O
InChIInChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOQTHGXWPJSKDCO-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.47
Rot. Bonds2

About 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid

9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56618208) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
PubChem CID56618208
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Name9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(CF)cccn2c1=O
InChIInChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyOQTHGXWPJSKDCO-UHFFFAOYSA-N
XLogP1.47
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 6501006
4-Oxo-1-(piperidin-1-ylmethyl)quinolizine-3-carboxylic acid
CID 70692442
1-Cyclopropyl-7-fluoro-8,9-dimethyl-4-oxo-4H-quinolizine-3-carboxylic acid
CID 479804
1-Ethyl-7-fluoro-8-(4-methylpiperazinyl)-4-oxoquinolizine-3-carboxylic acid
CID 486101
Cyclopropyl-dimethylamino-fluoro-oxo-4H-quinolizine-3-carboxylic acid
CID 479560
1-Ethyl hydrogen 4-oxo-4H-quinolizine-1,3-dicarboxylate
CID 621509
6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
CID 37134583
4-oxo-4H-quinolizine-3-carboxylic acid
CID 15632080
Cyclopropyl-7-fluoro-9-methyl-4-oxo-4h-quinolizine-3-carboxylic acid hydrochloride
CID 88322491
1-(Methoxycarbonyl)-4-oxo-4H-quinolizine-3-carboxylic acid
CID 273165
8-Chloro-7-fluoro-9-methyl-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid
CID 19067103
1-Cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 19067108

Frequently Asked Questions

What is the IUPAC name of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid (CID 56618208) is 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid is O=C(O)c1ccc2c(CF)cccn2c1=O.
What is the InChIKey of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is OQTHGXWPJSKDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c12-6-7-2-1-5-13-9(7)4-3-8(10(13)14)11(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid?
9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(fluoromethyl)-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56618208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).