N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C22H22N4O3S — CID 56544268

IUPACN-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C22H22N4O3S/c27-19(10-2-11-20-25-22(26-29-20)18-9-4-15-30-18)23-13-5-14-28-17-8-1-6-16-7-3-12-24-21(16)17/h1,3-4,6-9,12,15H,2,5,10-11,13-14H2,(H,23,27)
InChIKeyYNIFXDMQXMFRBX-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.25
Rot. Bonds10

About N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 56544268) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID56544268
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C22H22N4O3S/c27-19(10-2-11-20-25-22(26-29-20)18-9-4-15-30-18)23-13-5-14-28-17-8-1-6-16-7-3-12-24-21(16)17/h1,3-4,6-9,12,15H,2,5,10-11,13-14H2,(H,23,27)
InChIKeyYNIFXDMQXMFRBX-UHFFFAOYSA-N
XLogP4.25
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide 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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585347
N-(4-phenoxybutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18120241
N-(3-cyclohexylpropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46461523
2-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]ethylsulfanyl]acetic acid
CID 119241569
N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453947
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 78892160
N-(3-imidazol-1-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51265544
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-[2-oxo-2-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]ethyl]thiophene-2-carboxamide
CID 24550889
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86986082

Frequently Asked Questions

What is the IUPAC name of N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 56544268) is N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2cccs2)no1)NCCCOc1cccc2cccnc12.
What is the InChIKey of N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is YNIFXDMQXMFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c27-19(10-2-11-20-25-22(26-29-20)18-9-4-15-30-18)23-13-5-14-28-17-8-1-6-16-7-3-12-24-21(16)17/h1,3-4,6-9,12,15H,2,5,10-11,13-14H2,(H,23,27).
What are the key properties of N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 422.51 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinolin-8-yloxypropyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 56544268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).