6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid

C18H17FN4O3S — CID 15700663

IUPAC6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cscn2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H17FN4O3S/c19-14-5-12-15(6-16(14)22-3-1-20-2-4-22)23(7-11-9-27-10-21-11)8-13(17(12)24)18(25)26/h5-6,8-10,20H,1-4,7H2,(H,25,26)
InChIKeyORMVRGNNVVGKCD-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.75
Rot. Bonds4

About 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid

6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 15700663) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid
PubChem CID15700663
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cscn2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H17FN4O3S/c19-14-5-12-15(6-16(14)22-3-1-20-2-4-22)23(7-11-9-27-10-21-11)8-13(17(12)24)18(25)26/h5-6,8-10,20H,1-4,7H2,(H,25,26)
InChIKeyORMVRGNNVVGKCD-UHFFFAOYSA-N
XLogP1.75
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-amino-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13387904
1,1-dimethoxyethane;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 67896152
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
CID 70388183
ethane;2-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-2-oxoacetic acid
CID 144699505
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276301
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 94674833
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-(4-carboxyphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 23878924

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid (CID 15700663) is 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2cscn2)c2cc(N3CCNCC3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is ORMVRGNNVVGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-14-5-12-15(6-16(14)22-3-1-20-2-4-22)23(7-11-9-27-10-21-11)8-13(17(12)24)18(25)26/h5-6,8-10,20H,1-4,7H2,(H,25,26).
What are the key properties of 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid?
6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-4-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 15700663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).