2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid

C11H8FNO4 — CID 96594062

IUPAC2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C11H8FNO4/c12-6-1-2-8-7(5-6)9(14)3-4-13(8)10(15)11(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyDGXLZAWSZWLNIS-UHFFFAOYSA-N
MW237.19 g/mol
LogP0.83
Rot. Bonds

About 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid

2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid (PubChem CID 96594062) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid
PubChem CID96594062
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)N1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C11H8FNO4/c12-6-1-2-8-7(5-6)9(14)3-4-13(8)10(15)11(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyDGXLZAWSZWLNIS-UHFFFAOYSA-N
XLogP0.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
1-(cyclopentanecarbonyl)-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635059
N,N-diethyl-6-fluoro-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635106
6-fluoro-N-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydroquinoline-1-carboxamide
CID 110635108
2-(6-fluoro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoacetic acid
CID 84629970
6-ethyl-4-oxo-2,3-dihydroquinoline-1-carboxylic acid
CID 91060102
6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110406498
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
1-(6-fluoro-4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-1-one
CID 3067737
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid?
The IUPAC name of 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid (CID 96594062) is 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid is O=C(O)C(=O)N1CCC(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid?
The InChIKey is DGXLZAWSZWLNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-6-1-2-8-7(5-6)9(14)3-4-13(8)10(15)11(16)17/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid?
2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid has a molecular weight of 237.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoacetic acid is sourced from PubChem (CID 96594062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).