6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide

C14H11FN4O2 — CID 84597493

IUPAC6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
SMILESCC(NC(=O)c1cc(F)cc2cccnc12)c1ncon1
InChIInChI=1S/C14H11FN4O2/c1-8(13-17-7-21-19-13)18-14(20)11-6-10(15)5-9-3-2-4-16-12(9)11/h2-8H,1H3,(H,18,20)
InChIKeyUXUCTOKUDAVXIJ-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.25
Rot. Bonds3

About 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide

6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide (PubChem CID 84597493) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
PubChem CID84597493
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
SMILESCC(NC(=O)c1cc(F)cc2cccnc12)c1ncon1
InChIInChI=1S/C14H11FN4O2/c1-8(13-17-7-21-19-13)18-14(20)11-6-10(15)5-9-3-2-4-16-12(9)11/h2-8H,1H3,(H,18,20)
InChIKeyUXUCTOKUDAVXIJ-UHFFFAOYSA-N
XLogP2.25
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-5-methyl-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 97340394
6-fluoro-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]quinoline-8-carboxamide
CID 176916401
2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 130831803
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
CID 166368636
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
CID 112844431
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
5-(3-methylphenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776990

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide (CID 84597493) is 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide is CC(NC(=O)c1cc(F)cc2cccnc12)c1ncon1.
What is the InChIKey of 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide?
The InChIKey is UXUCTOKUDAVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-8(13-17-7-21-19-13)18-14(20)11-6-10(15)5-9-3-2-4-16-12(9)11/h2-8H,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide?
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide has a molecular weight of 286.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 84597493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).