6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide

C15H13FN4O2S — CID 17028165

IUPAC6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-7(2)14-19-20-15(23-14)18-13(22)10-6-17-11-4-3-8(16)5-9(11)12(10)21/h3-7H,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyUZYRIGVXVWRKDW-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.89
Rot. Bonds3

About 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide

6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 17028165) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
PubChem CID17028165
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-7(2)14-19-20-15(23-14)18-13(22)10-6-17-11-4-3-8(16)5-9(11)12(10)21/h3-7H,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyUZYRIGVXVWRKDW-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (CID 17028165) is 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is CC(C)c1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1.
What is the InChIKey of 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is UZYRIGVXVWRKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-7(2)14-19-20-15(23-14)18-13(22)10-6-17-11-4-3-8(16)5-9(11)12(10)21/h3-7H,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17028165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).