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

C15H13FN4O2S — CID 17028167

IUPAC6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-2-3-12-19-20-15(23-12)18-14(22)10-7-17-11-5-4-8(16)6-9(11)13(10)21/h4-7H,2-3H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyCBFYAZVFJJBGJR-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.72
Rot. Bonds4

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

6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 17028167) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
PubChem CID17028167
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-2-3-12-19-20-15(23-12)18-14(22)10-7-17-11-5-4-8(16)6-9(11)13(10)21/h4-7H,2-3H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyCBFYAZVFJJBGJR-UHFFFAOYSA-N
XLogP2.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide 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 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (CID 17028167) is 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is CCCc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1.
What is the InChIKey of 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is CBFYAZVFJJBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-2-3-12-19-20-15(23-12)18-14(22)10-7-17-11-5-4-8(16)6-9(11)13(10)21/h4-7H,2-3H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of 6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
6-fluoro-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.72, 4 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-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17028167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).