3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide

C23H22N4O2 — CID 39317619

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-16-7-9-19(10-8-16)23-26-21(29-27-23)12-11-20(28)24-15-13-18-5-2-4-17-6-3-14-25-22(17)18/h2-10,14H,11-13,15H2,1H3,(H,24,28)
InChIKeyYQQFOWNPUGSPCC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.88
Rot. Bonds7

About 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide (PubChem CID 39317619) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide
PubChem CID39317619
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)NCCc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-16-7-9-19(10-8-16)23-26-21(29-27-23)12-11-20(28)24-15-13-18-5-2-4-17-6-3-14-25-22(17)18/h2-10,14H,11-13,15H2,1H3,(H,24,28)
InChIKeyYQQFOWNPUGSPCC-UHFFFAOYSA-N
XLogP3.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585347
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
N-(3-hydroxy-2-pyridinyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18109571
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55751256
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide (CID 39317619) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide is Cc1ccc(-c2noc(CCC(=O)NCCc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide?
The InChIKey is YQQFOWNPUGSPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-7-9-19(10-8-16)23-26-21(29-27-23)12-11-20(28)24-15-13-18-5-2-4-17-6-3-14-25-22(17)18/h2-10,14H,11-13,15H2,1H3,(H,24,28).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-quinolin-8-ylethyl)propanamide is sourced from PubChem (CID 39317619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).