4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C22H22FN3O2 — CID 55686168

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCc1cccc2c1N(C(=O)CCCc1nc(-c3ccc(F)cc3)no1)CCC2
InChIInChI=1S/C22H22FN3O2/c1-15-5-2-6-16-7-4-14-26(21(15)16)20(27)9-3-8-19-24-22(25-28-19)17-10-12-18(23)13-11-17/h2,5-6,10-13H,3-4,7-9,14H2,1H3
InChIKeyLPPKNYPSZQQKLG-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.49
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 55686168) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID55686168
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCc1cccc2c1N(C(=O)CCCc1nc(-c3ccc(F)cc3)no1)CCC2
InChIInChI=1S/C22H22FN3O2/c1-15-5-2-6-16-7-4-14-26(21(15)16)20(27)9-3-8-19-24-22(25-28-19)17-10-12-18(23)13-11-17/h2,5-6,10-13H,3-4,7-9,14H2,1H3
InChIKeyLPPKNYPSZQQKLG-UHFFFAOYSA-N
XLogP4.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 46453328
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 43066706
1-(4-aminopiperidin-1-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119375212
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545179
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 39581934
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one
CID 9162744
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(1R,6S,7S)-7-hydroxy-8,8-dimethyl-2-azabicyclo[4.2.0]octan-2-yl]butan-1-one
CID 166249045
N-(2-amino-2-methylpropyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119628613
N,N-diethyl-2-[4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]acetamide
CID 55685644
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 34803748
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 55686168) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is Cc1cccc2c1N(C(=O)CCCc1nc(-c3ccc(F)cc3)no1)CCC2.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is LPPKNYPSZQQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-5-2-6-16-7-4-14-26(21(15)16)20(27)9-3-8-19-24-22(25-28-19)17-10-12-18(23)13-11-17/h2,5-6,10-13H,3-4,7-9,14H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 379.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 55686168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).