(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

C18H18FN5O2 — CID 70737643

IUPAC(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)no1
InChIInChI=1S/C18H18FN5O2/c1-12-20-16(22-26-12)11-23-7-9-24(10-8-23)18(25)15-6-5-13-3-2-4-14(19)17(13)21-15/h2-6H,7-11H2,1H3
InChIKeyCBGKAOBDOHGHRJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.02
Rot. Bonds3

About (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 70737643) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID70737643
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)no1
InChIInChI=1S/C18H18FN5O2/c1-12-20-16(22-26-12)11-23-7-9-24(10-8-23)18(25)15-6-5-13-3-2-4-14(19)17(13)21-15/h2-6H,7-11H2,1H3
InChIKeyCBGKAOBDOHGHRJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-3-fluorophenyl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 132971521
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 119066090
2H-chromen-3-yl-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56803237
1-[5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 137343339
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 91778645
5-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 91792457
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 118784344
3-(3-chlorophenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 56782004
[(1S)-2,2-dichloro-1-methylcyclopropyl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 95623376
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119071153
1-[(3R,4S)-1-(8-fluoroquinoline-2-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697538
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 56803236

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone (CID 70737643) is (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)no1.
What is the InChIKey of (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is CBGKAOBDOHGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-20-16(22-26-12)11-23-7-9-24(10-8-23)18(25)15-6-5-13-3-2-4-14(19)17(13)21-15/h2-6H,7-11H2,1H3.
What are the key properties of (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone?
(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 70737643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).