5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid

C15H16FN3O3 — CID 69404733

IUPAC5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCN1CCN(c2ccc(F)c3c(=O)cc(C(=O)O)[nH]c23)CC1
InChIInChI=1S/C15H16FN3O3/c1-18-4-6-19(7-5-18)11-3-2-9(16)13-12(20)8-10(15(21)22)17-14(11)13/h2-3,8H,4-7H2,1H3,(H,17,20)(H,21,22)
InChIKeyHSOLZCFQQIAFRL-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.12
Rot. Bonds2

About 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid

5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 69404733) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID69404733
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCN1CCN(c2ccc(F)c3c(=O)cc(C(=O)O)[nH]c23)CC1
InChIInChI=1S/C15H16FN3O3/c1-18-4-6-19(7-5-18)11-3-2-9(16)13-12(20)8-10(15(21)22)17-14(11)13/h2-3,8H,4-7H2,1H3,(H,17,20)(H,21,22)
InChIKeyHSOLZCFQQIAFRL-UHFFFAOYSA-N
XLogP1.12
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid (CID 69404733) is 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid is CN1CCN(c2ccc(F)c3c(=O)cc(C(=O)O)[nH]c23)CC1.
What is the InChIKey of 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is HSOLZCFQQIAFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-18-4-6-19(7-5-18)11-3-2-9(16)13-12(20)8-10(15(21)22)17-14(11)13/h2-3,8H,4-7H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid?
5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 69404733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).