1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C12H12FNO3 — CID 102711321

IUPAC1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2CCF
InChIInChI=1S/C12H12FNO3/c13-5-6-14-10-3-1-9(12(16)17)7-8(10)2-4-11(14)15/h1,3,7H,2,4-6H2,(H,16,17)
InChIKeyKKJHVIIGSLCPPA-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711321) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711321
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(=O)N2CCF
InChIInChI=1S/C12H12FNO3/c13-5-6-14-10-3-1-9(12(16)17)7-8(10)2-4-11(14)15/h1,3,7H,2,4-6H2,(H,16,17)
InChIKeyKKJHVIIGSLCPPA-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 102711321) is 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(=O)N2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is KKJHVIIGSLCPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-5-6-14-10-3-1-9(12(16)17)7-8(10)2-4-11(14)15/h1,3,7H,2,4-6H2,(H,16,17).
What are the key properties of 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).