[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C26H22N4O6 — CID 4828929

IUPAC[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(-c2cc(-c3nnc(COC(=O)c4c(C)noc4C)o3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H22N4O6/c1-14-24(15(2)36-30-14)26(31)34-13-23-28-29-25(35-23)18-12-20(27-19-8-6-5-7-17(18)19)16-9-10-21(32-3)22(11-16)33-4/h5-12H,13H2,1-4H3
InChIKeyKSRAHQCYQXTGKJ-UHFFFAOYSA-N
MW486.48 g/mol
LogP4.93
Rot. Bonds7

About [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4828929) has the molecular formula C26H22N4O6 and a molecular weight of 486.48 g/mol. Its IUPAC name is [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4828929
Molecular FormulaC26H22N4O6
Molecular Weight486.48 g/mol
Exact Mass486.15
IUPAC Name[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(-c2cc(-c3nnc(COC(=O)c4c(C)noc4C)o3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H22N4O6/c1-14-24(15(2)36-30-14)26(31)34-13-23-28-29-25(35-23)18-12-20(27-19-8-6-5-7-17(18)19)16-9-10-21(32-3)22(11-16)33-4/h5-12H,13H2,1-4H3
InChIKeyKSRAHQCYQXTGKJ-UHFFFAOYSA-N
XLogP4.93
TPSA122.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate 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

2-(chloromethyl)-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazole
CID 2113079
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2647320
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 16527478
(2,6-dichlorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2434662
2-(3,4-dimethoxyphenyl)-N'-(2,5-dimethylfuran-3-carbonyl)quinoline-4-carbohydrazide
CID 29169171
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308322
N-benzyl-5-[[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2420408
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55366183
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,4,5-trimethylfuran-3-carboxylate
CID 27189410
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1H-indazole-3-carboxylate
CID 7372505
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethoxybenzoate
CID 4829023

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4828929) is [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1ccc(-c2cc(-c3nnc(COC(=O)c4c(C)noc4C)o3)c3ccccc3n2)cc1OC.
What is the InChIKey of [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is KSRAHQCYQXTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O6/c1-14-24(15(2)36-30-14)26(31)34-13-23-28-29-25(35-23)18-12-20(27-19-8-6-5-7-17(18)19)16-9-10-21(32-3)22(11-16)33-4/h5-12H,13H2,1-4H3.
What are the key properties of [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 486.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4828929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).