2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

C11H5F2NO5 — CID 43532018

IUPAC2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc3c(cc2c1=O)OC(F)(F)O3
InChIInChI=1S/C11H5F2NO5/c12-11(13)18-7-1-4-6(2-8(7)19-11)14-3-5(9(4)15)10(16)17/h1-3H,(H,14,15)(H,16,17)
InChIKeyFHZSEEYMEXDLKJ-UHFFFAOYSA-N
MW269.16 g/mol
LogP1.55
Rot. Bonds1

About 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (PubChem CID 43532018) has the molecular formula C11H5F2NO5 and a molecular weight of 269.16 g/mol. Its IUPAC name is 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
PubChem CID43532018
Molecular FormulaC11H5F2NO5
Molecular Weight269.16 g/mol
Exact Mass269.01
IUPAC Name2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc3c(cc2c1=O)OC(F)(F)O3
InChIInChI=1S/C11H5F2NO5/c12-11(13)18-7-1-4-6(2-8(7)19-11)14-3-5(9(4)15)10(16)17/h1-3H,(H,14,15)(H,16,17)
InChIKeyFHZSEEYMEXDLKJ-UHFFFAOYSA-N
XLogP1.55
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
6,7-bis(2-fluoroethyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70495268
7-iodo-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 22054488
7-(1-chlorocyclopropyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 57254078
13-oxo-9-oxa-2,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,14,17-tetraene-14-carboxylic acid
CID 16660046
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
4-oxo-6-thiophen-2-yl-1H-quinoline-3-carboxylic acid
CID 70686353
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
7-(1-hydroxypropan-2-yl)-6-iodo-4-oxo-1H-quinoline-3-carboxylic acid
CID 67028549
2-ethyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 19100425
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 53337344

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The IUPAC name of 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid (CID 43532018) is 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The canonical SMILES for 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is O=C(O)c1c[nH]c2cc3c(cc2c1=O)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
The InChIKey is FHZSEEYMEXDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F2NO5/c12-11(13)18-7-1-4-6(2-8(7)19-11)14-3-5(9(4)15)10(16)17/h1-3H,(H,14,15)(H,16,17).
What are the key properties of 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid?
2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid has a molecular weight of 269.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid is sourced from PubChem (CID 43532018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).