6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

C24H16FNO4S — CID 67880106

IUPAC6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
SMILESCOc1c(-c2ccccc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3
InChIInChI=1S/C24H16FNO4S/c1-30-21-17(13-8-4-2-5-9-13)16(25)12-15-19(21)26-22(14-10-6-3-7-11-14)31-23(26)18(20(15)27)24(28)29/h2-12,22H,1H3,(H,28,29)
InChIKeyVEJAJHQUBZSPHC-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.17
Rot. Bonds4

About 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (PubChem CID 67880106) has the molecular formula C24H16FNO4S and a molecular weight of 433.46 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
PubChem CID67880106
Molecular FormulaC24H16FNO4S
Molecular Weight433.46 g/mol
Exact Mass433.08
IUPAC Name6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
SMILESCOc1c(-c2ccccc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3
InChIInChI=1S/C24H16FNO4S/c1-30-21-17(13-8-4-2-5-9-13)16(25)12-15-19(21)26-22(14-10-6-3-7-11-14)31-23(26)18(20(15)27)24(28)29/h2-12,22H,1H3,(H,28,29)
InChIKeyVEJAJHQUBZSPHC-UHFFFAOYSA-N
XLogP5.17
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CID 67880106) is 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is COc1c(-c2ccccc2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3.
What is the InChIKey of 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The InChIKey is VEJAJHQUBZSPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO4S/c1-30-21-17(13-8-4-2-5-9-13)16(25)12-15-19(21)26-22(14-10-6-3-7-11-14)31-23(26)18(20(15)27)24(28)29/h2-12,22H,1H3,(H,28,29).
What are the key properties of 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid has a molecular weight of 433.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxy-4-oxo-1,7-diphenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 67880106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).