N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

C15H13FN4O2S — CID 43832096

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-3-11-18-19-15(23-11)17-14(22)9-7-20(2)12-8(13(9)21)5-4-6-10(12)16/h4-7H,3H2,1-2H3,(H,17,19,22)
InChIKeyWBPKCIHUCVHYEG-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.34
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43832096) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43832096
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)s1
InChIInChI=1S/C15H13FN4O2S/c1-3-11-18-19-15(23-11)17-14(22)9-7-20(2)12-8(13(9)21)5-4-6-10(12)16/h4-7H,3H2,1-2H3,(H,17,19,22)
InChIKeyWBPKCIHUCVHYEG-UHFFFAOYSA-N
XLogP2.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (CID 43832096) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is CCc1nnc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is WBPKCIHUCVHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-3-11-18-19-15(23-11)17-14(22)9-7-20(2)12-8(13(9)21)5-4-6-10(12)16/h4-7H,3H2,1-2H3,(H,17,19,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43832096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).