1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one

C18H14F4N4O2 — CID 137434486

IUPAC1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
SMILESCc1noc(-c2cc3cc(C(F)(F)F)cc(F)c3nc2N2CCC(=O)CC2)n1
InChIInChI=1S/C18H14F4N4O2/c1-9-23-17(28-25-9)13-7-10-6-11(18(20,21)22)8-14(19)15(10)24-16(13)26-4-2-12(27)3-5-26/h6-8H,2-5H2,1H3
InChIKeyGZCGLCRWRRCLHG-UHFFFAOYSA-N
MW394.33 g/mol
LogP3.92
Rot. Bonds2

About 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one

1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one (PubChem CID 137434486) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
PubChem CID137434486
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC Name1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
SMILESCc1noc(-c2cc3cc(C(F)(F)F)cc(F)c3nc2N2CCC(=O)CC2)n1
InChIInChI=1S/C18H14F4N4O2/c1-9-23-17(28-25-9)13-7-10-6-11(18(20,21)22)8-14(19)15(10)24-16(13)26-4-2-12(27)3-5-26/h6-8H,2-5H2,1H3
InChIKeyGZCGLCRWRRCLHG-UHFFFAOYSA-N
XLogP3.92
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one with MolForge

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Related Compounds

8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile
CID 137434440
5-[2-chloro-8-fluoro-4-methyl-6-(trifluoromethyl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 137434224
1-[6-chloro-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434153
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
CID 137434132
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434204
1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 142432260
6-isocyano-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[[(3R)-oxan-3-yl]amino]piperidin-1-yl]quinoline-8-carbonitrile;6-isocyano-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-8-carbonitrile
CID 160614116
1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 129252264
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
CID 142491959
6-[4,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2,2,2-trifluoroethyl)quinolin-2-yl]-1,2-dioxa-6-azaspiro[2.5]octane
CID 142432343
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethoxy)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329117
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092061

Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one?
The IUPAC name of 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one (CID 137434486) is 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one is Cc1noc(-c2cc3cc(C(F)(F)F)cc(F)c3nc2N2CCC(=O)CC2)n1.
What is the InChIKey of 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one?
The InChIKey is GZCGLCRWRRCLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c1-9-23-17(28-25-9)13-7-10-6-11(18(20,21)22)8-14(19)15(10)24-16(13)26-4-2-12(27)3-5-26/h6-8H,2-5H2,1H3.
What are the key properties of 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one?
1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one has a molecular weight of 394.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one is sourced from PubChem (CID 137434486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).