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

C14H11FN4O2S — CID 39850839

IUPAC1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C14H11FN4O2S/c1-2-19-6-10(13(21)17-14-18-16-7-22-14)12(20)9-5-8(15)3-4-11(9)19/h3-7H,2H2,1H3,(H,17,18,21)
InChIKeyFYZBGFOXIKIIHJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.26
Rot. Bonds3

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

1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (PubChem CID 39850839) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
PubChem CID39850839
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C14H11FN4O2S/c1-2-19-6-10(13(21)17-14-18-16-7-22-14)12(20)9-5-8(15)3-4-11(9)19/h3-7H,2H2,1H3,(H,17,18,21)
InChIKeyFYZBGFOXIKIIHJ-UHFFFAOYSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)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 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CID 39850839) is 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is FYZBGFOXIKIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-2-19-6-10(13(21)17-14-18-16-7-22-14)12(20)9-5-8(15)3-4-11(9)19/h3-7H,2H2,1H3,(H,17,18,21).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 39850839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).