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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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).