[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate

C21H19NO6 — CID 2033707

IUPAC[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1
InChIInChI=1S/C21H19NO6/c1-25-15-4-2-14(3-5-15)18-13-27-19-12-16(6-7-17(19)20(18)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyQWDDAJDLPVJVQX-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.30
Rot. Bonds3

About [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate

[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate (PubChem CID 2033707) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate
PubChem CID2033707
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate
SMILESCOc1ccc(-c2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1
InChIInChI=1S/C21H19NO6/c1-25-15-4-2-14(3-5-15)18-13-27-19-12-16(6-7-17(19)20(18)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3
InChIKeyQWDDAJDLPVJVQX-UHFFFAOYSA-N
XLogP3.30
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-Hydroxy-2-(morpholin-4-yl)chromen-4-one
CID 11715743
7-Methoxy-2-morpholin-4-ylchromen-4-one
CID 11448366
7-Benzyloxy-2-(morpholin-4-yl)-chromen-4-one
CID 11522900
N,N-diethylcarbamic acid-4-(5,6,7-trimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7i)
CID 71483944
7-Benzoyloxy-2-(morpholin-4-yl)-chromen-4-one
CID 11508573
7-Ethyloxyethoxy-2-morpholin-4-yl-chromen-4-one
CID 11529823
7-Phenyloxyethoxy-2-morpholin-4-yl-chromen-4-one
CID 11566823
7-Phenylethoxy-2-morpholin-4-yl-chromen-4-one
CID 11624481
7-Propoxy-2-(morpholin-4-yl)-chromen-4-one
CID 11630658
3-cyclohexyl-5-fluoro-6-methyl-7-(2-morpholin-4-ylethoxy)-4H-chromen-4-one
CID 73755208
2-Formyl-3,5-dimethoxyphenyl morpholine-4-carboxylate
CID 973792
(Z)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
CID 1992456

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate (CID 2033707) is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate is COc1ccc(-c2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate?
The InChIKey is QWDDAJDLPVJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-25-15-4-2-14(3-5-15)18-13-27-19-12-16(6-7-17(19)20(18)23)28-21(24)22-8-10-26-11-9-22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate?
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate has a molecular weight of 381.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] morpholine-4-carboxylate is sourced from PubChem (CID 2033707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).