2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one

C24H25NO7 — CID 46303437

IUPAC2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H25NO7/c1-15(24(27)25-10-12-30-13-11-25)31-23-21(26)17-6-4-5-7-18(17)32-22(23)16-8-9-19(28-2)20(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZPUUKQOZQLEKGN-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.10
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one

2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one (PubChem CID 46303437) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
PubChem CID46303437
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C24H25NO7/c1-15(24(27)25-10-12-30-13-11-25)31-23-21(26)17-6-4-5-7-18(17)32-22(23)16-8-9-19(28-2)20(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyZPUUKQOZQLEKGN-UHFFFAOYSA-N
XLogP3.10
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1072048
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CID 4984708
1'-[2-(4-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260606
2-(3,4-Dihydroxyphenyl)-3-[3-(dimethylamino)propoxy]chromen-4-one
CID 9798727
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CID 1696333
N,N-diethyl-2-{[2-(2-furyl)-4-oxo-4H-chromen-6-yl]oxy}acetamide
CID 735110
3-(2-methoxyphenoxy)-4-oxo-4H-chromen-7-yl morpholine-4-carboxylate
CID 1302741
3-(2-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl morpholine-4-carboxylate
CID 1305064
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2370376
2-[2-ethoxy-4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697354
3-(4-methoxyphenoxy)-4-oxo-4H-chromen-7-yl morpholine-4-carboxylate
CID 2939840
[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2997590

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one (CID 46303437) is 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one is COc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
The InChIKey is ZPUUKQOZQLEKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-15(24(27)25-10-12-30-13-11-25)31-23-21(26)17-6-4-5-7-18(17)32-22(23)16-8-9-19(28-2)20(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one?
2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one has a molecular weight of 439.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one is sourced from PubChem (CID 46303437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).