2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one

C17H15NO3S — CID 11623802

IUPAC2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccsc3)cccc12
InChIInChI=1S/C17H15NO3S/c19-15-10-16(18-5-7-20-8-6-18)21-17-13(2-1-3-14(15)17)12-4-9-22-11-12/h1-4,9-11H,5-8H2
InChIKeyMHMBRJOWOVNUNC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.36
Rot. Bonds2

About 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one

2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one (PubChem CID 11623802) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one
PubChem CID11623802
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccsc3)cccc12
InChIInChI=1S/C17H15NO3S/c19-15-10-16(18-5-7-20-8-6-18)21-17-13(2-1-3-14(15)17)12-4-9-22-11-12/h1-4,9-11H,5-8H2
InChIKeyMHMBRJOWOVNUNC-UHFFFAOYSA-N
XLogP3.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
NU-7441
CID 11327430
2-Morpholin-4-yl-8-thiophen-2-ylchromen-4-one
CID 11602076
Ethyl 4-[5-(Morpholin-4-Yl)-7-Oxo-7h-Thieno[3,2-B]pyran-3-Yl]benzoate
CID 44180034
2-Morpholin-4-yl-8-(6,7,8,9-tetrahydro-dibenzothiophen-4-yl)-chromen-4-one
CID 11567907
2-morpholino-8-(3-(thiophen-3-yl)phenyl)-4H-chromen-4-one
CID 44562492
8-Phenyl-2-thiomorpholin-4-yl-chromen-4-one
CID 11324758
2-morpholino-8-(3-(thiophen-2-yl)phenyl)-4H-chromen-4-one
CID 25211673
5-Morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]thieno[3,2-b]pyran-7-one
CID 44180029
5-Morpholin-4-yl-3-thiophen-3-ylthieno[3,2-b]pyran-7-one
CID 44180035
3-(3-Methoxyphenyl)-5-(4-morpholinyl)-7H-thieno[3,2-b]pyran-7-one
CID 44180157
methyl 4-(5-morpholino-7-oxo-7H-thieno[3,2-b]pyran-3-yl)benzoate
CID 44180398

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one (CID 11623802) is 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ccsc3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one?
The InChIKey is MHMBRJOWOVNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-15-10-16(18-5-7-20-8-6-18)21-17-13(2-1-3-14(15)17)12-4-9-22-11-12/h1-4,9-11H,5-8H2.
What are the key properties of 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one?
2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-thiophen-3-ylchromen-4-one is sourced from PubChem (CID 11623802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).