8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one

C21H19NO5 — CID 166450920

IUPAC8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12
InChIInChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2
InChIKeyPZGGPBWCQBEFPX-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.07
Rot. Bonds2

About 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one

8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 166450920) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID166450920
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12
InChIInChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2
InChIKeyPZGGPBWCQBEFPX-UHFFFAOYSA-N
XLogP3.07
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490
8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
2-morpholin-4-yl-8-(3-thiophen-2-ylphenyl)chromen-4-one
CID 25211673
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
CID 11697295
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
CID 172621521
8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757263
methyl 2-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)-2-phenylphenoxy]acetate
CID 58757664

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one (CID 166450920) is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is PZGGPBWCQBEFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c23-17-13-20(22-6-8-24-9-7-22)27-21-15(2-1-3-16(17)21)14-4-5-18-19(12-14)26-11-10-25-18/h1-5,12-13H,6-11H2.
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one?
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 365.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 166450920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).