6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid

C15H15FN2O4 — CID 11472262

IUPAC6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c(=O)cc(C(=O)O)oc23)CC1
InChIInChI=1S/C15H15FN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyQBOUWRKFJKMBRE-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.38
Rot. Bonds2

About 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid

6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid (PubChem CID 11472262) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
PubChem CID11472262
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
SMILESCN1CCN(c2cc(F)cc3c(=O)cc(C(=O)O)oc23)CC1
InChIInChI=1S/C15H15FN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyQBOUWRKFJKMBRE-UHFFFAOYSA-N
XLogP1.38
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid (CID 11472262) is 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid is CN1CCN(c2cc(F)cc3c(=O)cc(C(=O)O)oc23)CC1.
What is the InChIKey of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
The InChIKey is QBOUWRKFJKMBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-17-2-4-18(5-3-17)11-7-9(16)6-10-12(19)8-13(15(20)21)22-14(10)11/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid?
6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid has a molecular weight of 306.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 11472262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).