1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

C14H15FN4O3 — CID 13387904

IUPAC1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C14H15FN4O3/c15-10-5-8-11(6-12(10)18-3-1-17-2-4-18)19(16)7-9(13(8)20)14(21)22/h5-7,17H,1-4,16H2,(H,21,22)
InChIKeyXMOOMMJIRZIIMM-UHFFFAOYSA-N
MW306.30 g/mol
LogP-0.04
Rot. Bonds2

About 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid (PubChem CID 13387904) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
PubChem CID13387904
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
SMILESNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C14H15FN4O3/c15-10-5-8-11(6-12(10)18-3-1-17-2-4-18)19(16)7-9(13(8)20)14(21)22/h5-7,17H,1-4,16H2,(H,21,22)
InChIKeyXMOOMMJIRZIIMM-UHFFFAOYSA-N
XLogP-0.04
TPSA100.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924
(Z)-but-2-enedioic acid;1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 46190704
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1,1-dimethoxyethane;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 67896152
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;methanesulfonic acid
CID 46190771
6-fluoro-1-(4-methoxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 10715814
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276301
ethane;2-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-2-oxoacetic acid
CID 144699505
6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid
CID 15700663
1-cyclohexylpiperazine;7-(4-cyclohexylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70353590

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid (CID 13387904) is 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid is Nn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.
What is the InChIKey of 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
The InChIKey is XMOOMMJIRZIIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c15-10-5-8-11(6-12(10)18-3-1-17-2-4-18)19(16)7-9(13(8)20)14(21)22/h5-7,17H,1-4,16H2,(H,21,22).
What are the key properties of 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid?
1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid has a molecular weight of 306.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 13387904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).