8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C14H9FN2O3 — CID 67565236

IUPAC8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESN#Cc1cc(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H9FN2O3/c15-8-3-7(5-16)12-10(4-8)13(18)11(14(19)20)6-17(12)9-1-2-9/h3-4,6,9H,1-2H2,(H,19,20)
InChIKeyWWGVXWXGGFXOTL-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.05
Rot. Bonds2

About 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 67565236) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID67565236
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESN#Cc1cc(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H9FN2O3/c15-8-3-7(5-16)12-10(4-8)13(18)11(14(19)20)6-17(12)9-1-2-9/h3-4,6,9H,1-2H2,(H,19,20)
InChIKeyWWGVXWXGGFXOTL-UHFFFAOYSA-N
XLogP2.05
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
8-cyano-1-cyclopropyl-6-fluoro-7-[(3R)-3-methyl-5-methylidenepiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 143167277
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11257968
1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carbonitrile
CID 14302347
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
7-(3-aminopyrrolidin-1-yl)-8-cyano-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 19776611

Frequently Asked Questions

What is the IUPAC name of 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 67565236) is 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is N#Cc1cc(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WWGVXWXGGFXOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-8-3-7(5-16)12-10(4-8)13(18)11(14(19)20)6-17(12)9-1-2-9/h3-4,6,9H,1-2H2,(H,19,20).
What are the key properties of 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67565236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).