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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Launch Full Analysis

Related Compounds

6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 10714849
1-cyclopropyl-6-fluoro-2-formyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 54471087
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
6-fluoro-1-(fluoromethyl)-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 10713991
(1R)-6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid;2-hydroxypropanoic acid
CID 66922057
1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13387904
1-(2,5-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14421167
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;methanesulfonic acid
CID 46190771
ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
ethane;2-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-2-oxoacetic acid
CID 144699505
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850

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).