6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid

C14H11F2NO3 — CID 139655183

IUPAC6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
SMILESCC1CC1n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2NO3/c1-6-2-11(6)17-5-8(14(19)20)13(18)7-3-9(15)10(16)4-12(7)17/h3-6,11H,2H2,1H3,(H,19,20)
InChIKeyIDGBOHBRMINNEA-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.56
Rot. Bonds2

About 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid

6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 139655183) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID139655183
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
SMILESCC1CC1n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H11F2NO3/c1-6-2-11(6)17-5-8(14(19)20)13(18)7-3-9(15)10(16)4-12(7)17/h3-6,11H,2H2,1H3,(H,19,20)
InChIKeyIDGBOHBRMINNEA-UHFFFAOYSA-N
XLogP2.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10109937
1-cyclopropyl-6-fluoro-7-(3-hydroxycyclobutyl)-4-oxoquinoline-3-carboxylic acid
CID 10313725
1-cyclopropyl-6-fluoro-7-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10426868
1-cyclopropyl-7-(2,4-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70465872
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
1-cyclopropyl-6-fluoro-7-(1-hydroxycyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139714093
(2S)-5,6-difluoro-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid
CID 10491907
2-[(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)amino]ethylazanium
CID 118985532

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid (CID 139655183) is 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid is CC1CC1n1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is IDGBOHBRMINNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-6-2-11(6)17-5-8(14(19)20)13(18)7-3-9(15)10(16)4-12(7)17/h3-6,11H,2H2,1H3,(H,19,20).
What are the key properties of 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid?
6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139655183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).