5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid

C12H11FN2O3 — CID 19423194

IUPAC5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c(=O)c2c(F)cccc21
InChIInChI=1S/C12H11FN2O3/c1-2-6-15-8-5-3-4-7(13)9(8)11(16)10(14-15)12(17)18/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyGRUVFVVMPBJQHU-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid

5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid (PubChem CID 19423194) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid
PubChem CID19423194
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid
SMILESCCCn1nc(C(=O)O)c(=O)c2c(F)cccc21
InChIInChI=1S/C12H11FN2O3/c1-2-6-15-8-5-3-4-7(13)9(8)11(16)10(14-15)12(17)18/h3-5H,2,6H2,1H3,(H,17,18)
InChIKeyGRUVFVVMPBJQHU-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid (CID 19423194) is 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid is CCCn1nc(C(=O)O)c(=O)c2c(F)cccc21.
What is the InChIKey of 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid?
The InChIKey is GRUVFVVMPBJQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-6-15-8-5-3-4-7(13)9(8)11(16)10(14-15)12(17)18/h3-5H,2,6H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid?
5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-1-propylcinnoline-3-carboxylic acid is sourced from PubChem (CID 19423194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).