8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile

C18H14FN5O2 — CID 137434440

IUPAC8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile
SMILESCc1noc(-c2cc3cc(C#N)cc(F)c3nc2N2CCC(=O)CC2)n1
InChIInChI=1S/C18H14FN5O2/c1-10-21-18(26-23-10)14-8-12-6-11(9-20)7-15(19)16(12)22-17(14)24-4-2-13(25)3-5-24/h6-8H,2-5H2,1H3
InChIKeyJNKLRJYPCMLNAR-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.77
Rot. Bonds2

About 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile

8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile (PubChem CID 137434440) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile
PubChem CID137434440
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Name8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile
SMILESCc1noc(-c2cc3cc(C#N)cc(F)c3nc2N2CCC(=O)CC2)n1
InChIInChI=1S/C18H14FN5O2/c1-10-21-18(26-23-10)14-8-12-6-11(9-20)7-15(19)16(12)22-17(14)24-4-2-13(25)3-5-24/h6-8H,2-5H2,1H3
InChIKeyJNKLRJYPCMLNAR-UHFFFAOYSA-N
XLogP2.77
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile with MolForge

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Related Compounds

1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
CID 137434486
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-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
6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 137434543
1-[6-ethyl-7-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 142432260
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
3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
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
3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
8-methyl-2-(4-oxopiperidin-1-yl)quinoline-3-carbonitrile
CID 82233252

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile?
The IUPAC name of 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile (CID 137434440) is 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile.
What is the SMILES notation for 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile?
The canonical SMILES for 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile is Cc1noc(-c2cc3cc(C#N)cc(F)c3nc2N2CCC(=O)CC2)n1.
What is the InChIKey of 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile?
The InChIKey is JNKLRJYPCMLNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-10-21-18(26-23-10)14-8-12-6-11(9-20)7-15(19)16(12)22-17(14)24-4-2-13(25)3-5-24/h6-8H,2-5H2,1H3.
What are the key properties of 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile?
8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile has a molecular weight of 351.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile is sourced from PubChem (CID 137434440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).