1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C15H13F2NO3 — CID 82251132

IUPAC1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C15H13F2NO3/c16-8-5-10-13(12(17)6-8)18(9-3-1-2-4-9)7-11(14(10)19)15(20)21/h5-7,9H,1-4H2,(H,20,21)
InChIKeyQDOZJXURTMMVPO-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.09
Rot. Bonds2

About 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 82251132) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID82251132
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CCCC2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C15H13F2NO3/c16-8-5-10-13(12(17)6-8)18(9-3-1-2-4-9)7-11(14(10)19)15(20)21/h5-7,9H,1-4H2,(H,20,21)
InChIKeyQDOZJXURTMMVPO-UHFFFAOYSA-N
XLogP3.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67565236
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-6,8-difluoro-4-oxo-7-(piperidin-2-ylmethylamino)quinoline-3-carboxylic acid
CID 10785808
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-fluoro-10,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 21445360
7-(1-aminocyclopropyl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 139671294
1-cyclopropyl-6,9-difluoro-4-oxo-11H-pyrido[2,3-a]carbazole-3-carboxylic acid
CID 46927955
1-cyclopropyl-6-fluoro-4-oxo-8-propyl-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 143890841

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 82251132) is 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CCCC2)c2c(F)cc(F)cc2c1=O.
What is the InChIKey of 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is QDOZJXURTMMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-8-5-10-13(12(17)6-8)18(9-3-1-2-4-9)7-11(14(10)19)15(20)21/h5-7,9H,1-4H2,(H,20,21).
What are the key properties of 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82251132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).