6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid

C15H16FN3O3 — CID 10380367

IUPAC6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
SMILESCc1[nH]c2cc(N3CCNCC3)c(F)cc2c(=O)c1C(=O)O
InChIInChI=1S/C15H16FN3O3/c1-8-13(15(21)22)14(20)9-6-10(16)12(7-11(9)18-8)19-4-2-17-3-5-19/h6-7,17H,2-5H2,1H3,(H,18,20)(H,21,22)
InChIKeyHNDYRFNYCCJYAL-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.08
Rot. Bonds2

About 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid

6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid (PubChem CID 10380367) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
PubChem CID10380367
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
SMILESCc1[nH]c2cc(N3CCNCC3)c(F)cc2c(=O)c1C(=O)O
InChIInChI=1S/C15H16FN3O3/c1-8-13(15(21)22)14(20)9-6-10(16)12(7-11(9)18-8)19-4-2-17-3-5-19/h6-7,17H,2-5H2,1H3,(H,18,20)(H,21,22)
InChIKeyHNDYRFNYCCJYAL-UHFFFAOYSA-N
XLogP1.08
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid (CID 10380367) is 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid is Cc1[nH]c2cc(N3CCNCC3)c(F)cc2c(=O)c1C(=O)O.
What is the InChIKey of 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
The InChIKey is HNDYRFNYCCJYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-8-13(15(21)22)14(20)9-6-10(16)12(7-11(9)18-8)19-4-2-17-3-5-19/h6-7,17H,2-5H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid?
6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 10380367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).