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

C14H12N4O2S — CID 7546356

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1
InChIInChI=1S/C14H12N4O2S/c1-2-12-17-18-14(21-12)16-13(20)9-7-11(19)15-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyZHZXGYLVTXMZHE-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.19
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 7546356) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID7546356
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1
InChIInChI=1S/C14H12N4O2S/c1-2-12-17-18-14(21-12)16-13(20)9-7-11(19)15-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyZHZXGYLVTXMZHE-UHFFFAOYSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 7546356) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ZHZXGYLVTXMZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-2-12-17-18-14(21-12)16-13(20)9-7-11(19)15-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 7546356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).