6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid

C14H14FN3O4 — CID 71440472

IUPAC6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
SMILESO=C(O)C1C(=O)Nc2cc(N3CCNCC3)c(F)cc2C1=O
InChIInChI=1S/C14H14FN3O4/c15-8-5-7-9(6-10(8)18-3-1-16-2-4-18)17-13(20)11(12(7)19)14(21)22/h5-6,11,16H,1-4H2,(H,17,20)(H,21,22)
InChIKeyOHMIUCFMGSHJES-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.07
Rot. Bonds2

About 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid

6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid (PubChem CID 71440472) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
PubChem CID71440472
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
SMILESO=C(O)C1C(=O)Nc2cc(N3CCNCC3)c(F)cc2C1=O
InChIInChI=1S/C14H14FN3O4/c15-8-5-7-9(6-10(8)18-3-1-16-2-4-18)17-13(20)11(12(7)19)14(21)22/h5-6,11,16H,1-4H2,(H,17,20)(H,21,22)
InChIKeyOHMIUCFMGSHJES-UHFFFAOYSA-N
XLogP0.07
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-1-(4-fluorophenyl)-3,4-dioxo-7-piperazin-1-yl-2H-quinoline-2-carboxylic acid
CID 171127167
4-(aziridin-1-yl)-7-fluoro-1-oxo-6-piperazin-1-yl-4H-naphthalene-2-carboxylic acid
CID 170925127
6-fluoro-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid
CID 130380939
1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13387904
6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
CID 10380367
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
1-cyclopropyl-6-fluoro-2-formyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 54471087
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidine-4-carboxylic acid
CID 166545874

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid (CID 71440472) is 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid is O=C(O)C1C(=O)Nc2cc(N3CCNCC3)c(F)cc2C1=O.
What is the InChIKey of 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is OHMIUCFMGSHJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c15-8-5-7-9(6-10(8)18-3-1-16-2-4-18)17-13(20)11(12(7)19)14(21)22/h5-6,11,16H,1-4H2,(H,17,20)(H,21,22).
What are the key properties of 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 307.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,4-dioxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71440472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).