2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one

C23H19NO3S — CID 44562492

IUPAC2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccsc4)c3)cccc12
InChIInChI=1S/C23H19NO3S/c25-21-14-22(24-8-10-26-11-9-24)27-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-12-28-15-18/h1-7,12-15H,8-11H2
InChIKeyBUCASDFNMADOQL-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.03
Rot. Bonds3

About 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one

2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one (PubChem CID 44562492) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one
PubChem CID44562492
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccsc4)c3)cccc12
InChIInChI=1S/C23H19NO3S/c25-21-14-22(24-8-10-26-11-9-24)27-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-12-28-15-18/h1-7,12-15H,8-11H2
InChIKeyBUCASDFNMADOQL-UHFFFAOYSA-N
XLogP5.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3973
NU-7441
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2-Morpholin-4-yl-8-thiophen-3-ylchromen-4-one
CID 11623802
Ethyl 4-[5-(Morpholin-4-Yl)-7-Oxo-7h-Thieno[3,2-B]pyran-3-Yl]benzoate
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2-Morpholin-4-yl-8-(6,7,8,9-tetrahydro-dibenzothiophen-4-yl)-chromen-4-one
CID 11567907
8-Phenyl-2-thiomorpholin-4-yl-chromen-4-one
CID 11324758
2-Morpholin-4-yl-8-styrylchromen-4-one
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2-Morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
CID 11957589
(Methyl-{2-[3-(thiophene-2-carbonyl)-biphenyl-4-yloxy]-ethyl}-amino)-acetic acid
CID 24957934
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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one (CID 44562492) is 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccsc4)c3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one?
The InChIKey is BUCASDFNMADOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-21-14-22(24-8-10-26-11-9-24)27-23-19(5-2-6-20(21)23)17-4-1-3-16(13-17)18-7-12-28-15-18/h1-7,12-15H,8-11H2.
What are the key properties of 2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one?
2-morpholin-4-yl-8-(3-thiophen-3-ylphenyl)chromen-4-one has a molecular weight of 389.48 g/mol, XLogP of 5.03, 3 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-(3-thiophen-3-ylphenyl)chromen-4-one is sourced from PubChem (CID 44562492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).