8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide

C20H16N4O4 — CID 56911650

IUPAC8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide
SMILESCOc1ccc(-c2noc(COc3cccc4ccc(C(N)=O)nc34)n2)cc1
InChIInChI=1S/C20H16N4O4/c1-26-14-8-5-13(6-9-14)20-23-17(28-24-20)11-27-16-4-2-3-12-7-10-15(19(21)25)22-18(12)16/h2-10H,11H2,1H3,(H2,21,25)
InChIKeyXDXDAVIFKBYIKT-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.97
Rot. Bonds6

About 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide

8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide (PubChem CID 56911650) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide
PubChem CID56911650
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide
SMILESCOc1ccc(-c2noc(COc3cccc4ccc(C(N)=O)nc34)n2)cc1
InChIInChI=1S/C20H16N4O4/c1-26-14-8-5-13(6-9-14)20-23-17(28-24-20)11-27-16-4-2-3-12-7-10-15(19(21)25)22-18(12)16/h2-10H,11H2,1H3,(H2,21,25)
InChIKeyXDXDAVIFKBYIKT-UHFFFAOYSA-N
XLogP2.97
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-cyclopropyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56883843
3-(4-methylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-oxadiazole;hydrate
CID 139086057
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 40755686
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8551423
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethoxybenzoate
CID 8513481
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide?
The IUPAC name of 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide (CID 56911650) is 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide.
What is the SMILES notation for 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide?
The canonical SMILES for 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide is COc1ccc(-c2noc(COc3cccc4ccc(C(N)=O)nc34)n2)cc1.
What is the InChIKey of 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide?
The InChIKey is XDXDAVIFKBYIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-26-14-8-5-13(6-9-14)20-23-17(28-24-20)11-27-16-4-2-3-12-7-10-15(19(21)25)22-18(12)16/h2-10H,11H2,1H3,(H2,21,25).
What are the key properties of 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide?
8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]quinoline-2-carboxamide is sourced from PubChem (CID 56911650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).