8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one

C21H18BrNO4 — CID 172621521

IUPAC8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1cc(Br)cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C21H18BrNO4/c1-13(24)14-9-15(11-16(22)10-14)17-3-2-4-18-19(25)12-20(27-21(17)18)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3
InChIKeyKDEVPWOYHXSKKI-UHFFFAOYSA-N
MW428.28 g/mol
LogP4.26
Rot. Bonds3

About 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one

8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one (PubChem CID 172621521) has the molecular formula C21H18BrNO4 and a molecular weight of 428.28 g/mol. Its IUPAC name is 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
PubChem CID172621521
Molecular FormulaC21H18BrNO4
Molecular Weight428.28 g/mol
Exact Mass427.04
IUPAC Name8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1cc(Br)cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C21H18BrNO4/c1-13(24)14-9-15(11-16(22)10-14)17-3-2-4-18-19(25)12-20(27-21(17)18)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3
InChIKeyKDEVPWOYHXSKKI-UHFFFAOYSA-N
XLogP4.26
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
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-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
CID 166450920
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
2-morpholin-4-yl-8-(3-thiophen-2-ylphenyl)chromen-4-one
CID 25211673
N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53324426
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
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-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one (CID 172621521) is 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one is CC(=O)c1cc(Br)cc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1.
What is the InChIKey of 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is KDEVPWOYHXSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO4/c1-13(24)14-9-15(11-16(22)10-14)17-3-2-4-18-19(25)12-20(27-21(17)18)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one?
8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 428.28 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 172621521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).