[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

C19H21NO7 — CID 4248118

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(=O)oc12
InChIInChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNIEJHOQJXMMZRT-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.59
Rot. Bonds4

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (PubChem CID 4248118) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
PubChem CID4248118
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1cccc2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(=O)oc12
InChIInChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3
InChIKeyNIEJHOQJXMMZRT-UHFFFAOYSA-N
XLogP1.59
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
8-Ethoxy-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 1247427
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2401830
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4344301
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
(E)-3-(2,3-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 6211927
3-(1-azocanylcarbonyl)-8-methoxy-2H-chromen-2-one
CID 6471057
3-[(2,6-dimethyl-4-morpholinyl)carbonyl]-8-ethoxy-2H-chromen-2-one
CID 6471808
8-methoxy-3-[(4-methylpiperidin-1-yl)carbonyl]-2H-chromen-2-one
CID 709816
Morpholin-4-yl-[8-(morpholin-2-ylmethoxy)-2H-chromen-3-yl]-methanone
CID 11792868

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate (CID 4248118) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is COc1cccc2cc(C(=O)OCC(=O)N3CC(C)OC(C)C3)c(=O)oc12.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is NIEJHOQJXMMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-11-8-20(9-12(2)26-11)16(21)10-25-18(22)14-7-13-5-4-6-15(24-3)17(13)27-19(14)23/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 4248118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).