1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid

C13H9F2NO3 — CID 67593009

IUPAC1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cc(F)c2n(C2CC2)c1=O
InChIInChI=1S/C13H9F2NO3/c14-7-3-6-4-9(13(18)19)12(17)16(8-1-2-8)11(6)10(15)5-7/h3-5,8H,1-2H2,(H,18,19)
InChIKeyIXUDWUQVNDGVCB-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.31
Rot. Bonds2

About 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid (PubChem CID 67593009) has the molecular formula C13H9F2NO3 and a molecular weight of 265.21 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid
PubChem CID67593009
Molecular FormulaC13H9F2NO3
Molecular Weight265.21 g/mol
Exact Mass265.06
IUPAC Name1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cc(F)c2n(C2CC2)c1=O
InChIInChI=1S/C13H9F2NO3/c14-7-3-6-4-9(13(18)19)12(17)16(8-1-2-8)11(6)10(15)5-7/h3-5,8H,1-2H2,(H,18,19)
InChIKeyIXUDWUQVNDGVCB-UHFFFAOYSA-N
XLogP2.31
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864628
methyl 7-bromo-1-cyclopropyl-6-fluoro-8-methoxy-2-oxoquinoline-3-carboxylate
CID 118864749
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
1-cyclopropyl-6-fluoro-2-(hydroxymethyl)indole-5-carboxylic acid
CID 152576044
1-cyclopropyl-8-ethyl-6-fluoro-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864560
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
(2S)-6-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-7-fluoro-2-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylic acid
CID 135369841
8-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-7-fluoro-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxylic acid
CID 135369800
1-cyclopropylaziridine-2,3-dione
CID 154037475
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid;ethyl 1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylate;hydrochloride
CID 160630431
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid (CID 67593009) is 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid is O=C(O)c1cc2cc(F)cc(F)c2n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid?
The InChIKey is IXUDWUQVNDGVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-7-3-6-4-9(13(18)19)12(17)16(8-1-2-8)11(6)10(15)5-7/h3-5,8H,1-2H2,(H,18,19).
What are the key properties of 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid has a molecular weight of 265.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 67593009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).