6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid

C14H13FN2O4 — CID 22142224

IUPAC6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(N3CCNCC3)c2o1
InChIInChI=1S/C14H13FN2O4/c15-8-5-9-11(18)7-12(14(19)20)21-13(9)10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2,(H,19,20)
InChIKeyZUKQUDVTIAAOQE-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.04
Rot. Bonds2

About 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid

6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid (PubChem CID 22142224) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
PubChem CID22142224
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(N3CCNCC3)c2o1
InChIInChI=1S/C14H13FN2O4/c15-8-5-9-11(18)7-12(14(19)20)21-13(9)10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2,(H,19,20)
InChIKeyZUKQUDVTIAAOQE-UHFFFAOYSA-N
XLogP1.04
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide
CID 91565515
6-methoxy-8-(4-methyl-1,4-diazepan-1-yl)-4-oxochromene-2-carboxylic acid;hydrochloride
CID 69269151
lithium;7-(4-benzylpiperazin-1-yl)-5-fluoro-1-benzofuran-2-carboxylic acid;hydride
CID 173024540
8-[(3,4-dichlorobenzoyl)amino]-6-fluoro-4-oxochromene-2-carboxylic acid
CID 71733650
5-piperazin-1-ylfuran-2-carboxylic acid
CID 55210586
6,7-difluoro-4-oxochromene-2-carboxylic acid
CID 11974463
5-ethyl-N,N-dimethyl-7-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 176933495
5,7-difluoro-1-oxoisochromene-3-carboxylic acid
CID 114517456
(Z)-but-2-enedioic acid;1-(6-fluoro-1-benzothiophen-3-yl)piperazine
CID 68831676
3-hydroxy-4-oxopyran-2,6-dicarboxylic acid
CID 10347
3-methyl-7-piperazin-1-yl-5-propan-2-yl-1,3-benzoxazol-2-one
CID 94980152
1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13387904

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid (CID 22142224) is 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)cc(N3CCNCC3)c2o1.
What is the InChIKey of 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid?
The InChIKey is ZUKQUDVTIAAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c15-8-5-9-11(18)7-12(14(19)20)21-13(9)10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2,(H,19,20).
What are the key properties of 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid?
6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid is sourced from PubChem (CID 22142224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).