[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C20H22N2O6 — CID 18140190

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-25-15-4-5-16(18(11-15)26-2)17(23)13-28-20(24)14-3-6-19(21-12-14)22-7-9-27-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyYXQCZXVJNNHVGP-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.98
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 18140190) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID18140190
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-25-15-4-5-16(18(11-15)26-2)17(23)13-28-20(24)14-3-6-19(21-12-14)22-7-9-27-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyYXQCZXVJNNHVGP-UHFFFAOYSA-N
XLogP1.98
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2637857
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140205
[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603556

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 18140190) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc(N3CCOCC3)nc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is YXQCZXVJNNHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-25-15-4-5-16(18(11-15)26-2)17(23)13-28-20(24)14-3-6-19(21-12-14)22-7-9-27-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 18140190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).