7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C13H9ClFNO3 — CID 57254078

IUPAC7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(F)cc2c1=O
InChIInChI=1S/C13H9ClFNO3/c14-13(1-2-13)8-4-10-6(3-9(8)15)11(17)7(5-16-10)12(18)19/h3-5H,1-2H2,(H,16,17)(H,18,19)
InChIKeyFACCORMCIQAJDA-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.59
Rot. Bonds2

About 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 57254078) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID57254078
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(F)cc2c1=O
InChIInChI=1S/C13H9ClFNO3/c14-13(1-2-13)8-4-10-6(3-9(8)15)11(17)7(5-16-10)12(18)19/h3-5H,1-2H2,(H,16,17)(H,18,19)
InChIKeyFACCORMCIQAJDA-UHFFFAOYSA-N
XLogP2.59
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(1-chlorocyclopropyl)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-1H-quinoline-3-carboxylic acid
CID 69350822
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 43532018
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
6,7-bis(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70495268
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
6-fluoro-7-[4-[(2E)-2-hydroxyiminoethyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 18382367
7-(1-bromocyclopropyl)-6-fluoro-5-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 70151029
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860

Frequently Asked Questions

What is the IUPAC name of 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 57254078) is 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2cc(C3(Cl)CC3)c(F)cc2c1=O.
What is the InChIKey of 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FACCORMCIQAJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-13(1-2-13)8-4-10-6(3-9(8)15)11(17)7(5-16-10)12(18)19/h3-5H,1-2H2,(H,16,17)(H,18,19).
What are the key properties of 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 57254078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).