N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide

C21H19F3N4O3 — CID 167268923

IUPACN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H19F3N4O3/c1-12(25-19(29)17-8-7-13-4-2-3-5-16(13)26-17)6-9-18-27-28-20(30-18)14-10-15(11-14)31-21(22,23)24/h2-5,7-8,14-15H,1,6,9-11H2,(H,25,29)
InChIKeyIWDSKDKPWIZXCD-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.28
Rot. Bonds7

About N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide (PubChem CID 167268923) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide
PubChem CID167268923
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H19F3N4O3/c1-12(25-19(29)17-8-7-13-4-2-3-5-16(13)26-17)6-9-18-27-28-20(30-18)14-10-15(11-14)31-21(22,23)24/h2-5,7-8,14-15H,1,6,9-11H2,(H,25,29)
InChIKeyIWDSKDKPWIZXCD-UHFFFAOYSA-N
XLogP4.28
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide (CID 167268923) is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide?
The InChIKey is IWDSKDKPWIZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-12(25-19(29)17-8-7-13-4-2-3-5-16(13)26-17)6-9-18-27-28-20(30-18)14-10-15(11-14)31-21(22,23)24/h2-5,7-8,14-15H,1,6,9-11H2,(H,25,29).
What are the key properties of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide?
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 167268923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).