N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

C22H20N4O4 — CID 53162198

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1OC
InChIInChI=1S/C22H20N4O4/c1-28-18-8-5-14(10-19(18)29-2)13-24-20(27)12-21-25-26-22(30-21)16-6-7-17-15(11-16)4-3-9-23-17/h3-11H,12-13H2,1-2H3,(H,24,27)
InChIKeyYXEGZDMTTKIGJJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.16
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162198) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162198
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1OC
InChIInChI=1S/C22H20N4O4/c1-28-18-8-5-14(10-19(18)29-2)13-24-20(27)12-21-25-26-22(30-21)16-6-7-17-15(11-16)4-3-9-23-17/h3-11H,12-13H2,1-2H3,(H,24,27)
InChIKeyYXEGZDMTTKIGJJ-UHFFFAOYSA-N
XLogP3.16
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162198) is N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is COc1ccc(CNC(=O)Cc2nnc(-c3ccc4ncccc4c3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is YXEGZDMTTKIGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-18-8-5-14(10-19(18)29-2)13-24-20(27)12-21-25-26-22(30-21)16-6-7-17-15(11-16)4-3-9-23-17/h3-11H,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 404.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).