8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid

C20H13FN2O3S — CID 46224984

IUPAC8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccs3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H13FN2O3S/c21-16-4-1-3-14-18(16)23(11-15(19(14)24)20(25)26)10-13-7-6-12(9-22-13)17-5-2-8-27-17/h1-9,11H,10H2,(H,25,26)
InChIKeyFPTDKHXRBCBUDG-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.01
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid (PubChem CID 46224984) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
PubChem CID46224984
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccs3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C20H13FN2O3S/c21-16-4-1-3-14-18(16)23(11-15(19(14)24)20(25)26)10-13-7-6-12(9-22-13)17-5-2-8-27-17/h1-9,11H,10H2,(H,25,26)
InChIKeyFPTDKHXRBCBUDG-UHFFFAOYSA-N
XLogP4.01
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid (CID 46224984) is 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccs3)cn2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is FPTDKHXRBCBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-16-4-1-3-14-18(16)23(11-15(19(14)24)20(25)26)10-13-7-6-12(9-22-13)17-5-2-8-27-17/h1-9,11H,10H2,(H,25,26).
What are the key properties of 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(5-thiophen-2-yl-2-pyridinyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46224984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).