8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide

C14H11ClN4O2S — CID 17028130

IUPAC8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)s1
InChIInChI=1S/C14H11ClN4O2S/c1-2-10-18-19-14(22-10)17-13(21)8-6-16-11-7(12(8)20)4-3-5-9(11)15/h3-6H,2H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyGBDJTBWAINBBDQ-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.85
Rot. Bonds3

About 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide

8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 17028130) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID17028130
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)s1
InChIInChI=1S/C14H11ClN4O2S/c1-2-10-18-19-14(22-10)17-13(21)8-6-16-11-7(12(8)20)4-3-5-9(11)15/h3-6H,2H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyGBDJTBWAINBBDQ-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 17028130) is 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is CCc1nnc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)s1.
What is the InChIKey of 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GBDJTBWAINBBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-2-10-18-19-14(22-10)17-13(21)8-6-16-11-7(12(8)20)4-3-5-9(11)15/h3-6H,2H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 334.79 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17028130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).