N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide

C22H21N5O3S — CID 71908579

IUPACN-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)nc2ccccc12
InChIInChI=1S/C22H21N5O3S/c1-2-23-22(29)15-13-18(24-16-8-4-3-7-14(15)16)25-19(28)10-5-11-20-26-21(27-30-20)17-9-6-12-31-17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
InChIKeyZVNYRLTYWGGIQZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.06
Rot. Bonds8

About N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide

N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide (PubChem CID 71908579) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
PubChem CID71908579
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)nc2ccccc12
InChIInChI=1S/C22H21N5O3S/c1-2-23-22(29)15-13-18(24-16-8-4-3-7-14(15)16)25-19(28)10-5-11-20-26-21(27-30-20)17-9-6-12-31-17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
InChIKeyZVNYRLTYWGGIQZ-UHFFFAOYSA-N
XLogP4.06
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
CID 55924013
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323159
5-oxo-5-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 110354844
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38885147
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38934084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide (CID 71908579) is N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide is CCNC(=O)c1cc(NC(=O)CCCc2nc(-c3cccs3)no2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide?
The InChIKey is ZVNYRLTYWGGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-2-23-22(29)15-13-18(24-16-8-4-3-7-14(15)16)25-19(28)10-5-11-20-26-21(27-30-20)17-9-6-12-31-17/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28).
What are the key properties of N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide?
N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide is sourced from PubChem (CID 71908579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).