1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid

C11H8FNO4 — CID 91240711

IUPAC1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(OCF)c2ccccc2c1=O
InChIInChI=1S/C11H8FNO4/c12-6-17-13-5-8(11(15)16)10(14)7-3-1-2-4-9(7)13/h1-5H,6H2,(H,15,16)
InChIKeyRMJAMLWKWPDRAY-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.06
Rot. Bonds3

About 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid

1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid (PubChem CID 91240711) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
PubChem CID91240711
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(OCF)c2ccccc2c1=O
InChIInChI=1S/C11H8FNO4/c12-6-17-13-5-8(11(15)16)10(14)7-3-1-2-4-9(7)13/h1-5H,6H2,(H,15,16)
InChIKeyRMJAMLWKWPDRAY-UHFFFAOYSA-N
XLogP1.06
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159665167
CID 159665167
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532573

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid (CID 91240711) is 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(OCF)c2ccccc2c1=O.
What is the InChIKey of 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RMJAMLWKWPDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-6-17-13-5-8(11(15)16)10(14)7-3-1-2-4-9(7)13/h1-5H,6H2,(H,15,16).
What are the key properties of 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid?
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 91240711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).