8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one

C19H17NO4S — CID 11508681

IUPAC8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)s1
InChIInChI=1S/C19H17NO4S/c1-12(21)16-5-6-17(25-16)14-4-2-3-13-15(22)11-18(24-19(13)14)20-7-9-23-10-8-20/h2-6,11H,7-10H2,1H3
InChIKeyUVIYWUMEUVYSCA-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.56
Rot. Bonds3

About 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one

8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 11508681) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID11508681
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESCC(=O)c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)s1
InChIInChI=1S/C19H17NO4S/c1-12(21)16-5-6-17(25-16)14-4-2-3-13-15(22)11-18(24-19(13)14)20-7-9-23-10-8-20/h2-6,11H,7-10H2,1H3
InChIKeyUVIYWUMEUVYSCA-UHFFFAOYSA-N
XLogP3.56
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one (CID 11508681) is 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one is CC(=O)c1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)s1.
What is the InChIKey of 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is UVIYWUMEUVYSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-12(21)16-5-6-17(25-16)14-4-2-3-13-15(22)11-18(24-19(13)14)20-7-9-23-10-8-20/h2-6,11H,7-10H2,1H3.
What are the key properties of 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 355.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-acetylthiophen-2-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11508681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).