8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide

C16H15FN4O4 — CID 122564942

IUPAC8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)n1
InChIInChI=1S/C16H15FN4O4/c1-24-6-5-13-20-14(25-21-13)8-18-16(23)11-7-12(22)9-3-2-4-10(17)15(9)19-11/h2-4,7H,5-6,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyKLHGCEVBBIWFEO-UHFFFAOYSA-N
MW346.32 g/mol
LogP1.17
Rot. Bonds6

About 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide

8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 122564942) has the molecular formula C16H15FN4O4 and a molecular weight of 346.32 g/mol. Its IUPAC name is 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID122564942
Molecular FormulaC16H15FN4O4
Molecular Weight346.32 g/mol
Exact Mass346.11
IUPAC Name8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCOCCc1noc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)n1
InChIInChI=1S/C16H15FN4O4/c1-24-6-5-13-20-14(25-21-13)8-18-16(23)11-7-12(22)9-3-2-4-10(17)15(9)19-11/h2-4,7H,5-6,8H2,1H3,(H,18,23)(H,19,22)
InChIKeyKLHGCEVBBIWFEO-UHFFFAOYSA-N
XLogP1.17
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide (CID 122564942) is 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide is COCCc1noc(CNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)n1.
What is the InChIKey of 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is KLHGCEVBBIWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O4/c1-24-6-5-13-20-14(25-21-13)8-18-16(23)11-7-12(22)9-3-2-4-10(17)15(9)19-11/h2-4,7H,5-6,8H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide?
8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 346.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 122564942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).