8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one

C21H17NO3S — CID 11588610

IUPAC8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cc4ccccc4s3)cccc12
InChIInChI=1S/C21H17NO3S/c23-17-13-20(22-8-10-24-11-9-22)25-21-15(17)5-3-6-16(21)19-12-14-4-1-2-7-18(14)26-19/h1-7,12-13H,8-11H2
InChIKeyUVPQXOBIDAMUCU-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.51
Rot. Bonds2

About 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one

8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 11588610) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID11588610
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cc4ccccc4s3)cccc12
InChIInChI=1S/C21H17NO3S/c23-17-13-20(22-8-10-24-11-9-22)25-21-15(17)5-3-6-16(21)19-12-14-4-1-2-7-18(14)26-19/h1-7,12-13H,8-11H2
InChIKeyUVPQXOBIDAMUCU-UHFFFAOYSA-N
XLogP4.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one (CID 11588610) is 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cc4ccccc4s3)cccc12.
What is the InChIKey of 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is UVPQXOBIDAMUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-17-13-20(22-8-10-24-11-9-22)25-21-15(17)5-3-6-16(21)19-12-14-4-1-2-7-18(14)26-19/h1-7,12-13H,8-11H2.
What are the key properties of 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one?
8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 363.44 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophen-2-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11588610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).